Vitas-M small molecule compound
2-amino-4-(2,5-dimethoxyphenyl)-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
STK683684
SMILES COc1ccc(c(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1nnc(s1)SCc1cccc(c1)C(F)(F)F)C#N)OC
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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 C30H28F3N5O3S2 MW 627.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28F3N5O3S2/c1-29(2)12-21-25(22(39)13-29)24(19-11-18(40-3)8-9-23(19)41-4)20(14-34)26(35)38(21)27-36-37-28(43-27)42-15-16-6-5-7-17(10-16)30(31,32)33/h5-11,24H,12-13,15,35H2,1-4H3InChIKey
DPTWKHKVOPHQEH-UHFFFAOYSA-NSynonyms
2amino4(25dimethoxyphenyl)77dimethyl5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(25DIMETHOXYPHENYL)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=C(C=CC(=C5)OC)OC)C(=O)C1)C
InChI=1SC30H28F3N5O3S2c129(2)122125(22(39)1329)24(191118(403)8923(19)414)20(1434)26(35)38(21)27363728(4327)42151665717(1016)30(3132)33h51124H12131535H214H3
MFCD05258542
ZINC000098006214
ZINC000098006215
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