Vitas-M small molecule compound
5-[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
Catalog ID
STK628861
SMILES OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1[nH]nc(c1)C(C)(C)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 C16H16ClN5O2S MW 377.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN5O2S/c1-16(2,3)12-7-11(18-19-12)13-20-21-15(25)22(13)8-4-5-10(17)9(6-8)14(23)24/h4-7H,1-3H3,(H,18,19)(H,21,25)(H,23,24)InChIKey
YTFSGYBTALVIMH-UHFFFAOYSA-NSynonyms
1031389-33-91031389339
MFCD09793550
OC(=O)c1cc(ccc1Cl)n1c(=S)(nH)nc1c1(nH)nc(c1)C(C)(C)C
ZINC000006659248
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