Vitas-M small molecule compound
3-{[3-(3,5-difluorobenzyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK640432
SMILES Fc1cc(cc(c1)F)Cc1n[nH]c(=S)n1Cc1cccc(c1)C(=O)O
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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 C17H13F2N3O2S MW 361.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F2N3O2S/c18-13-5-11(6-14(19)8-13)7-15-20-21-17(25)22(15)9-10-2-1-3-12(4-10)16(23)24/h1-6,8H,7,9H2,(H,21,25)(H,23,24)InChIKey
RAKZCYOADMTYAJ-UHFFFAOYSA-NSynonyms
1010926-10-91010926109
3((3((35difluorophenyl)methyl)5sulfanylidene1H124triazol4yl)methyl)benzoicacid
3((3(35difluorobenzyl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
C1=CC(=CC(=C1)CN2C(=NNC2=S)CC3=CC(=CC(=C3)F)F)C(=O)O
Fc1cc(cc(c1)F)Cc1n(nH)c(=S)n1Cc1cccc(c1)C(=O)O
InChI=1SC17H13F2N3O2Sc1813511(614(19)813)715202117(25)22(15)91021312(410)16(23)24h168H79H2(H2125)(H2324)
MFCD18162332
ZINC000012391851
ZINC12391851
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