Vitas-M small molecule compound
2-{(E)-[(3-phenyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Catalog ID
STL149483
SMILES OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1
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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 C16H12N4O2S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O2S/c21-15(22)13-9-5-4-8-12(13)10-17-20-14(18-19-16(20)23)11-6-2-1-3-7-11/h1-10H,(H,19,23)(H,21,22)/b17-10+InChIKey
IHTCRKMFCXCVRX-LICLKQGHSA-NSynonyms
380454-42-22((1E)2(5PHENYL3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
2((E)((3phenyl5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
2((E)(3PHENYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
380454422
C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)O
InChI=1SC16H12N4O2Sc2115(22)13954812(13)10172014(181916(20)23)116213711h110H(H1923)(H2122)b1710+
MFCD03804101
ZINC000000520328
ZINC33322754
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