Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{4-[(4-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Catalog ID
STK522806
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C)/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 C26H22N2O4 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4/c1-18-7-9-20(10-8-18)17-32-22-13-11-19(12-14-22)15-21(16-27)25(29)28-24-6-4-3-5-23(24)26(30)31-2/h3-15H,17H2,1-2H3,(H,28,29)/b21-15+InChIKey
VNISJBYBBCRBMN-RCCKNPSSSA-NSynonyms
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC26H22N2O4c1187920(10818)173222131119(121422)1521(1627)25(29)2824643523(24)26(30)312h315H17H212H3(H2829)b2115+
methyl2(((2E)2cyano3(4((4methylbenzyl)oxy)phenyl)prop2enoyl)amino)benzoate
METHYL2(((E)2CYANO3(4((4METHYLPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD03155194
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C)C(=O)Nc1ccccc1C(=O)OC
ZINC000001439523
ZINC01439523
ZINC1439523
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