Vitas-M small molecule compound
2-(2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino}-2-oxoethyl)benzoic acid
Catalog ID
STL249766
SMILES O=C(Cc1ccccc1C(=O)O)Nc1n[nH]c(n1)c1ccc(cc1)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 C17H13ClN4O3 MW 356.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O3/c18-12-7-5-10(6-8-12)15-20-17(22-21-15)19-14(23)9-11-3-1-2-4-13(11)16(24)25/h1-8H,9H2,(H,24,25)(H2,19,20,21,22,23)InChIKey
RYRBZCXGMJFZKO-UHFFFAOYSA-NSynonyms
1351688-47-51351688475
2(2((3(4chlorophenyl)1H124triazol5yl)amino)2oxoethyl)benzoicacid
2(2((5(4chlorophenyl)1H124triazol3yl)amino)2oxoethyl)benzoicacid
C1=CC=C(C(=C1)CC(=O)NC2=NNC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI=1SC17H13ClN4O3c18127510(6812)152017(222115)1914(23)911312413(11)16(24)25h18H9H2(H2425)(H21920212223)
MFCD24861633
O=C(Cc1ccccc1C(=O)O)Nc1n(nH)c(n1)c1ccc(cc1)Cl
O=C(Nc1(nH)nc(n1)c1ccc(cc1)Cl)Cc1ccccc1C(=O)O
ZINC000072401106
ZINC72401106
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