Vitas-M small molecule compound

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

Catalog ID
STK559099
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccncc1

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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)12-3-1-10(2-4-12)9-17-20-13(18-19-15(20)23)11-5-7-16-8-6-11/h1-9H,(H,19,23)(H,21,22)/b17-9+
InChIKey
SLFZYBZXACLQBZ-RQZCQDPDSA-N
Synonyms
500197-10-4
4((E)((3(pyridin4yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
500197104
C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=CC=NC=C3)C(=O)O
InChI=1SC15H11N5O2Sc2114(22)123110(2412)9172013(181915(20)23)1157168611h19H(H1923)(H2122)b179+
MFCD03798414
OC(=O)c1ccc(cc1)C=Nn1c(n(nH)c1=S)c1ccncc1
ZINC000001299977
ZINC1299976

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Available files

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