Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK618130
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1c1ccc2c(c1)OCO2
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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 C16H11N3O4S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4S/c20-15(21)9-1-4-11(5-2-9)19-14(17-18-16(19)24)10-3-6-12-13(7-10)23-8-22-12/h1-7H,8H2,(H,18,24)(H,20,21)InChIKey
AXELANRGCLVCPF-UHFFFAOYSA-NSynonyms
921116-16-74(3(13benzodioxol5yl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(13benzodioxol5yl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O
InChI=1SC16H11N3O4Sc2015(21)91411(529)1914(171816(19)24)10361213(710)2382212h17H8H2(H1824)(H2021)
MFCD09790736
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1c1ccc2c(c1)OCO2
ZINC000009305776
ZINC9305776
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