Vitas-M small molecule compound

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

Catalog ID
STK571092
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccnc1

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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 C15H11N5O2S MW 325.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O2S/c21-14(22)11-5-3-10(4-6-11)8-17-20-13(18-19-15(20)23)12-2-1-7-16-9-12/h1-9H,(H,19,23)(H,21,22)/b17-8+
InChIKey
AEGQVJRCMGBZGG-CAOOACKPSA-N
Synonyms
488840-24-0
4((E)((3(pyridin3yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3PYRIDIN3YL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
488840240
C1=CC(=CN=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O
InChI=1SC15H11N5O2Sc2114(22)115310(4611)8172013(181915(20)23)1221716912h19H(H1923)(H2122)b178+
MFCD07212140
OC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1cccnc1
ZINC000005997276
ZINC33324268

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Available files

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