Vitas-M small molecule compound
4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK197005
SMILES COc1cccc(c1OCc1ccc(cc1)C(=O)O)/C=N/n1cnnc1
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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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c1-25-16-4-2-3-15(9-21-22-11-19-20-12-22)17(16)26-10-13-5-7-14(8-6-13)18(23)24/h2-9,11-12H,10H2,1H3,(H,23,24)/b21-9+InChIKey
QDSCBFHNSOCMOI-ZVBGSRNCSA-NSynonyms
4((2METHOXY6((E)(4H124TRIAZOL4YLIMINO)METHYL)PHENOXY)METHYL)BENZOICACID
4((2METHOXY6((E)124TRIAZOL4YLIMINOMETHYL)PHENOXY)METHYL)BENZOICACID
COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)C=NN3C=NN=C3
COc1cccc(c1OCc1ccc(cc1)C(=O)O)C=Nn1cnnc1
InChI=1SC18H16N4O4c1251642315(921221119201222)17(16)2610135714(8613)18(23)24h291112H10H21H3(H2324)b219+
MFCD03716913
ZINC000001117327
ZINC1117326
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