Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-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
STK683443
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C)c1nnc(s1)SCc1cccc(c1)C(F)(F)F
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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 C29H26F3N5OS3 MW 613.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N5OS3/c1-28(2)12-21-24(22(38)13-28)23(17-7-9-19(39-3)10-8-17)20(14-33)25(34)37(21)26-35-36-27(41-26)40-15-16-5-4-6-18(11-16)29(30,31)32/h4-11,23H,12-13,15,34H2,1-3H3InChIKey
ZYQZTIMLDDBDHI-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(4(methylsulfanyl)phenyl)5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(4METHYLSULFANYLPHENYL)5OXO1(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=C(C=C5)SC)C(=O)C1)C
InChI=1SC29H26F3N5OS3c128(2)122124(22(38)1328)23(177919(393)10817)20(1433)25(34)37(21)26353627(4126)40151654618(1116)29(3031)32h41123H12131534H213H3
MFCD05257868
ZINC000098006071
ZINC000098006072
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