Vitas-M small molecule compound
4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174258
SMILES COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccccn1
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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 C30H29F2N5O3S MW 577.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29F2N5O3S/c1-16-13-21(28(31)32)36-30(34-16)41-15-19-14-18(10-11-23(19)40-3)26-25(29(39)37-24-9-4-5-12-33-24)17(2)35-20-7-6-8-22(38)27(20)26/h4-5,9-14,26,28,35H,6-8,15H2,1-3H3,(H,33,37,39)InChIKey
ZTLMTGVNSKVRLH-UHFFFAOYSA-NSynonyms
444925-85-34(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)2methyl5oxoN(pyridin2yl)145678hexahydroquinoline3carboxamide
4(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)2methyl5oxoNpyridin2yl4678tetrahydro1Hquinoline3carboxamide
444925853
CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)NC5=CC=CC=N5)C)OC)C(F)F
InChI=1SC30H29F2N5O3Sc1161321(28(31)32)3630(3416)4115191418(101123(19)403)2625(29(39)3724945123324)17(2)352076822(38)27(20)26h45914262835H6815H213H3(H333739)
MFCD02606277
ZINC000000667288
ZINC000100670218
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