Vitas-M small molecule compound
methyl (2E)-2-cyano-3-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]prop-2-enoate
Catalog ID
STK491742
SMILES COC(=O)/C(=C/c1ccc(c(c1)CSc1nc(C)cc(n1)C(F)F)OC)/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 C19H17F2N3O3S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F2N3O3S/c1-11-6-15(17(20)21)24-19(23-11)28-10-14-8-12(4-5-16(14)26-2)7-13(9-22)18(25)27-3/h4-8,17H,10H2,1-3H3/b13-7+InChIKey
XHFDYNXHXSUVIC-NTUHNPAUSA-NSynonyms
CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C=C(C#N)C(=O)OC)OC)C(F)F
COC(=O)C(=Cc1ccc(c(c1)CSc1nc(C)cc(n1)C(F)F)OC)C#N
InChI=1SC19H17F2N3O3Sc111615(17(20)21)2419(2311)281014812(4516(14)262)713(922)18(25)273h4817H10H213H3b137+
methyl(2E)2cyano3(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)prop2enoate
METHYL(2E)3(3((6(DIFLUOROMETHYL)4METHYLPYRIMIDIN2YLTHIO)METHYL)4METHOXYPHENYL)2CYANOPROP2ENOATE
methyl(E)2cyano3(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)prop2enoate
MFCD07078291
ZINC000020353457
ZINC20353457
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