Vitas-M small molecule compound
4-[(4-{(Z)-[1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK160628
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\NC(=O)N(C1=O)Cc1ccc(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 C26H21ClN2O6 MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O6/c1-34-23-13-18(6-11-22(23)35-15-17-2-7-19(8-3-17)25(31)32)12-21-24(30)29(26(33)28-21)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,28,33)(H,31,32)/b21-12-InChIKey
KCXACNKMUNSWAY-MTJSOVHGSA-NSynonyms
4((4((Z)(1((4chlorophenyl)methyl)25dioxoimidazolidin4ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
4((4((Z)(1(4CHLOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)C(=O)O
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)Cl
InChI=1SC26H21ClN2O6c134231318(61122(23)3515172719(8317)25(31)32)122124(30)29(26(33)2821)14164920(27)10516h213H1415H21H3(H2833)(H3132)b2112
MFCD05041634
ZINC000014009308
ZINC14009308
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