Vitas-M small molecule compound
2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683448
SMILES COc1cccc(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1nnc(s1)SCc1cccc(c1)C(F)(F)F)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 C29H26F3N5O2S2 MW 597.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N5O2S2/c1-28(2)12-21-24(22(38)13-28)23(17-7-5-9-19(11-17)39-3)20(14-33)25(34)37(21)26-35-36-27(41-26)40-15-16-6-4-8-18(10-16)29(30,31)32/h4-11,23H,12-13,15,34H2,1-3H3InChIKey
ZFTFLWXKAIBIPJ-UHFFFAOYSA-NSynonyms
2amino4(3methoxyphenyl)77dimethyl5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(3METHOXYPHENYL)77DIMETHYL5OXO1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)N)C#N)C5=CC(=CC=C5)OC)C(=O)C1)C
InChI=1SC29H26F3N5O2S2c128(2)122124(22(38)1328)23(1775919(1117)393)20(1433)25(34)37(21)26353627(4126)40151664818(1016)29(3031)32h41123H12131534H213H3
MFCD05257873
ZINC000098006081
ZINC000098006082
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