Vitas-M small molecule compound
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}ethanone
Catalog ID
STK306018
SMILES COc1ccc(cc1)c1ccnc(n1)SCC(=O)N1N=C(CC1(O)C(F)F)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 C18H18F2N4O3S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F2N4O3S/c1-11-9-18(26,16(19)20)24(23-11)15(25)10-28-17-21-8-7-14(22-17)12-3-5-13(27-2)6-4-12/h3-8,16,26H,9-10H2,1-2H3InChIKey
BSNKUIPPHSFRLO-UHFFFAOYSA-NSynonyms
679801-16-21(5(DIFLUOROMETHYL)5HYDROXY3METHYL(2PYRAZOLINYL))2(4(4METHOXYPHENYL)PYRIMIDIN2YLTHIO)ETHAN1ONE
1(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)2((4(4methoxyphenyl)pyrimidin2yl)sulfanyl)ethanone
1(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)2(4(4methoxyphenyl)pyrimidin2yl)sulfanylethanone
679801162
CC1=NN(C(C1)(C(F)F)O)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)OC
InChI=1SC18H18F2N4O3Sc111918(2616(19)20)24(2311)15(25)102817218714(2217)123513(272)6412h381626H910H212H3
MFCD04046684
ZINC000006394623
ZINC000006395224
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