Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757835
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-27(2)11-20-24(21(33)12-27)23(15-6-5-7-16(10-15)32(34)35)19(14-29)25(30)31(20)26-18(13-28)17-8-3-4-9-22(17)36-26/h5-7,10,23H,3-4,8-9,11-12,30H2,1-2H3InChIKey
VLXQPYRAOFZMQA-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl4(3nitrophenyl)5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H25N5O3Sc127(2)112024(21(33)1227)23(1565716(1015)32(34)35)19(1429)25(30)31(20)2618(1328)17834922(17)3626h571023H3489111230H212H3
MFCD01305106
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
ZINC000002188849
ZINC000002188850
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