Vitas-M small molecule compound

methyl 2-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STK861718
SMILES COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(cc1)C

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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 C18H17NO3 MW 295.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO3/c1-13-7-9-14(10-8-13)11-12-17(20)19-16-6-4-3-5-15(16)18(21)22-2/h3-12H,1-2H3,(H,19,20)/b12-11+
InChIKey
WJVGSPWPZGLTSK-VAWYXSNFSA-N
Synonyms

CC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)OC
COC(=O)c1ccccc1NC(=O)C=Cc1ccc(cc1)C
InChI=1SC18H17NO3c1137914(10813)111217(20)1916643515(16)18(21)222h312H12H3(H1920)b1211+
methyl2(((2E)3(4methylphenyl)prop2enoyl)amino)benzoate
METHYL2(((E)3(4METHYLPHENYL)PROP2ENOYL)AMINO)BENZOATE
METHYL2((2E)3(4METHYLPHENYL)PROP2ENOYLAMINO)BENZOATE
MFCD01458764
ZINC000000226918
ZINC00226918
ZINC226918

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.