Vitas-M small molecule compound
4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL172855
SMILES COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)C
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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 C33H35F2N5O3S MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35F2N5O3S/c1-17-7-10-26(36-15-17)40-31(42)27-19(3)38-23-13-33(4,5)14-24(41)29(23)28(27)20-8-9-25(43-6)21(12-20)16-44-32-37-18(2)11-22(39-32)30(34)35/h7-12,15,28,30,38H,13-14,16H2,1-6H3,(H,36,40,42)InChIKey
HEGZDHXSJVILOC-UHFFFAOYSA-NSynonyms
515829-71-74(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo145678hexahydroquinoline3carboxamide
4(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo1468tetrahydroquinoline3carboxamide
515829717
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)OC)CSC5=NC(=CC(=N5)C(F)F)C)C(=O)CC(C3)(C)C)C
InChI=1SC33H35F2N5O3Sc11771026(361517)4031(42)2719(3)38231333(45)1424(41)29(23)28(27)208925(436)21(1220)1644323718(2)1122(3932)30(34)35h71215283038H131416H216H3(H364042)
MFCD03758750
ZINC000008440579
ZINC000008440580
Check stock
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