Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757781
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2)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 C28H28N4O2S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S/c1-28(2)12-21-25(22(33)13-28)24(16-8-10-17(34-3)11-9-16)20(15-30)26(31)32(21)27-19(14-29)18-6-4-5-7-23(18)35-27/h8-11,24H,4-7,12-13,31H2,1-3H3InChIKey
PUYBITHZOHIIHC-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4methoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=C(C=C5)OC)C(=O)C1)C
InChI=1SC28H28N4O2Sc128(2)122125(22(33)1328)24(1681017(343)11916)20(1530)26(31)32(21)2719(1429)18645723(18)3527h81124H47121331H213H3
MFCD01304985
ZINC000000714757
ZINC000000714758
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