Vitas-M small molecule compound
methyl 2-{[(2E)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK522810
SMILES N#C/C(=C\c1cccc(c1)OCc1ccc(cc1)Cl)/C(=O)Nc1ccccc1C(=O)OC
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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 C25H19ClN2O4 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O4/c1-31-25(30)22-7-2-3-8-23(22)28-24(29)19(15-27)13-18-5-4-6-21(14-18)32-16-17-9-11-20(26)12-10-17/h2-14H,16H2,1H3,(H,28,29)/b19-13+InChIKey
GDSKFLSEHYLZBP-CPNJWEJPSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl)C#N
InChI=1SC25H19ClN2O4c13125(30)22723823(22)2824(29)19(1527)131854621(1418)32161791120(26)121017h214H16H21H3(H2829)b1913+
methyl2(((2E)3(3((4chlorobenzyl)oxy)phenyl)2cyanoprop2enoyl)amino)benzoate
METHYL2(((E)3(3((4CHLOROPHENYL)METHOXY)PHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
MFCD03155106
N#CC(=Cc1cccc(c1)OCc1ccc(cc1)Cl)C(=O)Nc1ccccc1C(=O)OC
ZINC000001439529
ZINC01439529
ZINC1439529
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