Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758651
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1sccc1C)N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H28N4OS2 MW 488.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS2/c1-15-9-10-33-24(15)22-18(14-29)25(30)31(19-11-27(2,3)12-20(32)23(19)22)26-17(13-28)16-7-5-4-6-8-21(16)34-26/h9-10,22H,4-8,11-12,30H2,1-3H3InChIKey
RVIAFOZZQOSFGX-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(3methylthiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(3methylthiophen2yl)5oxo68dihydro4Hquinoline3carbonitrile
CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC27H28N4OS2c1159103324(15)2218(1429)25(30)31(191127(23)1220(32)23(19)22)2617(1328)167546821(16)3426h91022H48111230H213H3
MFCD01460101
ZINC000002380197
ZINC000003666915
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