Vitas-M small molecule compound

4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

Catalog ID
STK588123
SMILES COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=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/c1-24-14-8-6-12(7-9-14)15-19-20-17(25)21(15)18-10-11-2-4-13(5-3-11)16(22)23/h2-10H,1H3,(H,20,25)(H,22,23)/b18-10+
InChIKey
VITSTBJSRAANKA-VCHYOVAHSA-N
Synonyms
380461-72-3
380461723
4((E)((3(4methoxyphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3(4METHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
COc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)C(=O)O
InChI=1SC17H14N4O3Sc124148612(7914)15192017(25)21(15)1810112413(5311)16(22)23h210H1H3(H2025)(H2223)b1810+
MFCD07212851
ZINC000005578666
ZINC2327111

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Available files

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