Vitas-M small molecule compound
2-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STL047650
SMILES COc1ccc(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 C17H14N4O3S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3S/c1-24-13-8-6-11(7-9-13)15-19-20-17(25)21(15)18-10-12-4-2-3-5-14(12)16(22)23/h2-10H,1H3,(H,20,25)(H,22,23)/b18-10+InChIKey
GGLFBCDYAQKQSA-VCHYOVAHSA-NSynonyms
478253-63-32(((3(4METHOXYPHENYL)5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)BENZOICACID
2((E)((3(4methoxyphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
2((E)(3(4METHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
478253633
COC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)O
COc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccccc1C(=O)O
InChI=1SC17H14N4O3Sc124138611(7913)15192017(25)21(15)181012423514(12)16(22)23h210H1H3(H2025)(H2223)b1810+
MFCD03796624
ZINC000002223313
ZINC32577023
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