Vitas-M small molecule compound
2-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STK561925
SMILES Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C(=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 C17H14N4O2S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O2S/c1-11-6-8-12(9-7-11)15-19-20-17(24)21(15)18-10-13-4-2-3-5-14(13)16(22)23/h2-10H,1H3,(H,20,24)(H,22,23)/b18-10+InChIKey
GPWBNBQYWSKDHT-VCHYOVAHSA-NSynonyms
150093-69-9150093699
2((E)((3(4methylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
2((E)(3(4METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)O
Cc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccccc1C(=O)O
InChI=1SC17H14N4O2Sc1116812(9711)15192017(24)21(15)181013423514(13)16(22)23h210H1H3(H2024)(H2223)b1810+
MFCD03802211
ZINC000005030692
ZINC32577022
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