N6-4-Methyl-2-thiazolylmitomycin C
[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: N6-4-Methyl-2-thiazolylmitomycin C|N(6)-4-Methyl-2-thiazolylmitomycin C|(1S,2S,9S,9aR)-6-Methyl-7-(4-methyl-2-thiazolylamino)-9-(carbamoyloxymethyl)-9a-methoxy-1,2-epimino-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-5,8-dione|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-((4-methyl-2-thiazolyl)amino)-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-|(1aS)-6-(4-Methyl-2-thiazolylamino)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydro-8aalpha-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione|(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[(4-methyl-2-thiazolyl)amino]azirino[2a(2),3a(2):3,4]pyrrolo[1,2-a]indole-4,7-dione|-6-Methyl-7- -9- -9a-methoxy-1,2-epimino-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-5,8-dione|[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate|{(1aS,8S,8aR,8bS)-8a-Methoxy-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl carbamate|Azirino[2',3'_3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[(4-methyl-2-thiazolyl)amino]-, [1aR-(1a.|A.,8.|A.,8a.|A.,8b.|A.)]-
| Molecular Formula | C19H21N5O5S |
|---|---|
| Molecular Weight | 431.12634 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.12634 |
| Monoisotopic Mass | 431.12634 |
| Heavy Atoms | 30 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 84397-36-4 |
|---|---|
| SMILES | CC1=CSC(=N1)NC2=C(C(=O)C3=C(C2=O)[C@H]([C@@]4(N3C[C@H]5[C@@H]4N5)OC)COC(=O)N)C |
| InChIKey | GJMYQLAUNLWMMV-SHNIBNMDSA-N |
Product Overview
N6-4-Methyl-2-thiazolylmitomycin C (CAS 84397-36-4), with molecular formula C19H21N5O5S and molecular weight 431.12634 g/mol. IUPAC: [(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
N6-4-Methyl-2-thiazolylmitomycin C is a custom synthesis product. We offer services from milligram to kilogram scale.
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