Vitas-M small molecule compound
methyl 4-{(1E)-2-cyano-3-[(4-methoxy-2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}benzoate
Catalog ID
STK382189
SMILES COc1ccc(c(c1)C)NC(=O)/C(=C/c1ccc(cc1)C(=O)OC)/C#N
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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 C20H18N2O4 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4/c1-13-10-17(25-2)8-9-18(13)22-19(23)16(12-21)11-14-4-6-15(7-5-14)20(24)26-3/h4-11H,1-3H3,(H,22,23)/b16-11+InChIKey
LNOSEEXDWASUIZ-LFIBNONCSA-NSynonyms
CC1=C(C=CC(=C1)OC)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N
COc1ccc(c(c1)C)NC(=O)C(=Cc1ccc(cc1)C(=O)OC)C#N
InChI=1SC20H18N2O4c1131017(252)8918(13)2219(23)16(1221)11144615(7514)20(24)263h411H13H3(H2223)b1611+
methyl4((1E)2cyano3((4methoxy2methylphenyl)amino)3oxoprop1en1yl)benzoate
METHYL4((E)2CYANO3(4METHOXY2METHYLANILINO)3OXOPROP1ENYL)BENZOATE
MFCD03835020
ZINC000004543452
ZINC04543452
ZINC4543452
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