Vitas-M small molecule compound

methyl (2Z)-3-[(4-chlorophenyl)carbonyl]-5-(dibenzylamino)-4,5-dioxo-2-(phenylamino)pent-2-enoate

Catalog ID
STK535414
SMILES COC(=O)/C(=C(\C(=O)c1ccc(cc1)Cl)/C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)/Nc1ccccc1

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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 C33H27ClN2O5 MW 567.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27ClN2O5/c1-41-33(40)29(35-27-15-9-4-10-16-27)28(30(37)25-17-19-26(34)20-18-25)31(38)32(39)36(21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20,35H,21-22H2,1H3/b29-28-
InChIKey
FAYRQJCXZRKUOW-ZIADKAODSA-N
Synonyms

(Z)methyl3(4chlorobenzoyl)5(dibenzylamino)45dioxo2(phenylamino)pent2enoate
COC(=O)C(=C(C(=O)C1=CC=C(C=C1)Cl)C(=O)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)NC4=CC=CC=C4
COC(=O)C(=C(C(=O)c1ccc(cc1)Cl)C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1
InChI=1SC33H27ClN2O5c14133(40)29(35271594101627)28(30(37)25171926(34)201825)31(38)32(39)36(2123115261223)2224137381424h22035H2122H21H3b2928
methyl(2Z)3((4chlorophenyl)carbonyl)5(dibenzylamino)45dioxo2(phenylamino)pent2enoate
METHYL(Z)2ANILINO3(4CHLOROBENZOYL)5(DIBENZYLAMINO)45DIOXOPENT2ENOATE
MFCD02130902
ZINC000102416232
ZINC102416232

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Available files

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