Vitas-M small molecule compound

4-{(1E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate

Catalog ID
STK949823
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1OC

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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 C25H20N2O4 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4/c1-17-7-11-19(12-8-17)25(29)31-21-13-9-18(10-14-21)15-20(16-26)24(28)27-22-5-3-4-6-23(22)30-2/h3-15H,1-2H3,(H,27,28)/b20-15+
InChIKey
DVSKILMXOVUFJP-HMMYKYKNSA-N
Synonyms
469875-25-0
(4((E)2cyano3(2methoxyanilino)3oxoprop1enyl)phenyl)4methylbenzoate
4((1E)2CYANO2(N(2METHOXYPHENYL)CARBAMOYL)VINYL)PHENYL4METHYLBENZOATE
4((1E)2cyano3((2methoxyphenyl)amino)3oxoprop1en1yl)phenyl4methylbenzoate
469875250
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3OC
InChI=1SC25H20N2O4c11771119(12817)25(29)312113918(101421)1520(1626)24(28)2722534623(22)302h315H12H3(H2728)b2015+
MFCD02364667
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1OC
ZINC000000948765
ZINC00948765
ZINC948765

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Available files

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