Vitas-M small molecule compound

methyl 2-{[(2E)-2-cyano-3-(3-ethoxy-4-{[(4-methoxyphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STK522829
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)/C=C(/C(=O)Nc1ccccc1C(=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 C28H24N2O7 MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O7/c1-4-36-25-16-18(9-14-24(25)37-27(32)19-10-12-21(34-2)13-11-19)15-20(17-29)26(31)30-23-8-6-5-7-22(23)28(33)35-3/h5-16H,4H2,1-3H3,(H,30,31)/b20-15+
InChIKey
VQRUVENFEPAIRU-HMMYKYKNSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)OC
CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C(C(=O)Nc1ccccc1C(=O)OC)C#N
InChI=1SC28H24N2O7c1436251618(91424(25)3727(32)19101221(342)131119)1520(1729)26(31)3023865722(23)28(33)353h516H4H213H3(H3031)b2015+
methyl2(((2E)2cyano3(3ethoxy4(((4methoxyphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
METHYL2(((E)2CYANO3(3ETHOXY4(4METHOXYBENZOYL)OXYPHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD03155086
ZINC000012585794
ZINC12585794

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Available files

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