Vitas-M small molecule compound
3-{[3-(2,5-difluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK640306
SMILES Fc1ccc(c(c1)c1n[nH]c(=S)n1Cc1cccc(c1)C(=O)O)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 C16H11F2N3O2S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F2N3O2S/c17-11-4-5-13(18)12(7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)InChIKey
JTVKLSJQHDQPDV-UHFFFAOYSA-NSynonyms
951970-34-63((3(25difluorophenyl)5sulfanylidene1H124triazol4yl)methyl)benzoicacid
3((3(25difluorophenyl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
951970346
C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=C(C=CC(=C3)F)F)C(=O)O
Fc1ccc(c(c1)c1n(nH)c(=S)n1Cc1cccc(c1)C(=O)O)F
InChI=1SC16H11F2N3O2Sc17114513(18)12(711)14192016(24)21(14)8921310(69)15(22)23h17H8H2(H2024)(H2223)
MFCD18162291
ZINC000013733600
ZINC13733600
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