Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757880
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)C#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 C30H32N4O2S MW 512.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2S/c1-4-36-19-12-10-18(11-13-19)26-22(17-32)28(33)34(23-14-30(2,3)15-24(35)27(23)26)29-21(16-31)20-8-6-5-7-9-25(20)37-29/h10-13,26H,4-9,14-15,33H2,1-3H3InChIKey
RCINIFWQEMQXFF-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4ethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4ethoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC30H32N4O2Sc143619121018(111319)2622(1732)28(33)34(231430(23)1524(35)27(23)26)2921(1631)208657925(20)3729h101326H49141533H213H3
MFCD01305216
ZINC000003666085
ZINC000003666086
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