Vitas-M small molecule compound
5-[(2H-3,4'-bi-1,2,4-triazol-5-ylcarbonyl)amino]-2-chlorobenzoic acid
Catalog ID
STK688418
SMILES O=C(c1n[nH]c(n1)n1cnnc1)Nc1ccc(c(c1)C(=O)O)Cl
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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 C12H8ClN7O3 MW 333.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8ClN7O3/c13-8-2-1-6(3-7(8)11(22)23)16-10(21)9-17-12(19-18-9)20-4-14-15-5-20/h1-5H,(H,16,21)(H,22,23)(H,17,18,19)InChIKey
HXURWMZIVNGPJH-UHFFFAOYSA-NSynonyms
2CHLORO5((3(124TRIAZOL4YL)1H124TRIAZOLE5CARBONYL)AMINO)BENZOICACID
5((2H34bi124triazol5ylcarbonyl)amino)2chlorobenzoicacid
C1=CC(=C(C=C1NC(=O)C2=NC(=NN2)N3C=NN=C3)C(=O)O)Cl
InChI=1SC12H8ClN7O3c138216(37(8)11(22)23)1610(21)91712(19189)2041415520h15H(H1621)(H2223)(H171819)
MFCD07657548
O=C(c1n(nH)c(n1)n1cnnc1)Nc1ccc(c(c1)C(=O)O)Cl
ZINC000004772727
ZINC4772727
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