Vitas-M small molecule compound
4-({[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL406997
SMILES Oc1nc(SCc2ccc(cc2)C(=O)O)nc(c1)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 C13H9F3N2O3S MW 330.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9F3N2O3S/c14-13(15,16)9-5-10(19)18-12(17-9)22-6-7-1-3-8(4-2-7)11(20)21/h1-5H,6H2,(H,20,21)(H,17,18,19)InChIKey
XKBIRBMMIAPIIM-UHFFFAOYSA-NSynonyms
874605-35-34(((4hydroxy6(trifluoromethyl)pyrimidin2yl)sulfanyl)methyl)benzoicacid
4((4oxo6(trifluoromethyl)1Hpyrimidin2yl)sulfanylmethyl)benzoicacid
874605353
C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)C(F)(F)F)C(=O)O
InChI=1SC13H9F3N2O3Sc1413(1516)9510(19)1812(179)2267138(427)11(20)21h15H6H2(H2021)(H171819)
MFCD00269570
ZINC000020394593
ZINC20394593
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