Vitas-M small molecule compound

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

Catalog ID
STK562690
SMILES Clc1ccc(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 C16H11ClN4O2S MW 358.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+
InChIKey
CQVXUWVBXDJAGD-GIJQJNRQSA-N
Synonyms
613230-59-4
613230594
Clc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)C(=O)O
MFCD03807382
ZINC000001478068

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Available files

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