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-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758505
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2
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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-28(2)12-21-25(22(34)13-28)24(16-7-6-8-17(11-16)33(35)36)20(15-30)26(31)32(21)27-19(14-29)18-9-4-3-5-10-23(18)37-27/h6-8,11,24H,3-5,9-10,12-13,31H2,1-2H3InChIKey
OUVFKJWOHBTQCM-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(3nitrophenyl)5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC28H27N5O3Sc128(2)122125(22(34)1328)24(1676817(1116)33(35)36)20(1530)26(31)32(21)2719(1429)1894351023(18)3727h681124H35910121331H212H3
MFCD01465170
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2
ZINC000002380241
ZINC000003666732
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