Vitas-M small molecule compound

methyl 4-({[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoate

Catalog ID
STL406996
SMILES COC(=O)c1ccc(cc1)CSc1nc(O)cc(n1)C(F)(F)F

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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 C14H11F3N2O3S MW 344.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F3N2O3S/c1-22-12(21)9-4-2-8(3-5-9)7-23-13-18-10(14(15,16)17)6-11(20)19-13/h2-6H,7H2,1H3,(H,18,19,20)
InChIKey
WDJBPUQXIZFPGK-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F
InChI=1SC14H11F3N2O3Sc12212(21)9428(359)723131810(14(1516)17)611(20)1913h26H7H21H3(H181920)
methyl4(((4hydroxy6(trifluoromethyl)pyrimidin2yl)sulfanyl)methyl)benzoate
METHYL4(((6OXO4(TRIFLUOROMETHYL)16DIHYDROPYRIMIDIN2YL)THIO)METHYL)BENZOATE
METHYL4((4OXO6(TRIFLUOROMETHYL)1HPYRIMIDIN2YL)SULFANYLMETHYL)BENZOATE
MFCD00268946
ZINC000005155150
ZINC5155150

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Available files

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