Vitas-M small molecule compound

dimethyl 2-{[(Z)-{5-cyano-4-methyl-2,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6-dihydropyridin-3(2H)-ylidene}methyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK719265
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(CCCN2CCCC2=O)C(=O)C(=C1C)C#N)C(=O)OC

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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 C25H26N4O7 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O7/c1-15-18(13-26)22(31)29(11-5-10-28-9-4-6-21(28)30)23(32)19(15)14-27-20-12-16(24(33)35-2)7-8-17(20)25(34)36-3/h7-8,12,14,27H,4-6,9-11H2,1-3H3/b19-14-
InChIKey
JFPUTBFQSAMGFD-RGEXLXHISA-N
Synonyms

(Z)dimethyl2(((5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)terephthalate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)CCCN3CCCC3=O)C#N
COC(=O)c1ccc(cc1NC=C1C(=O)N(CCCN2CCCC2=O)C(=O)C(=C1C)C#N)C(=O)OC
dimethyl2(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzene14dicarboxylate
dimethyl2(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)pyridin3ylidene)methyl)amino)benzene14dicarboxylate
InChI=1SC25H26N4O7c11518(1326)22(31)29(115102894621(28)30)23(32)19(15)1427201216(24(33)352)7817(20)25(34)363h78121427H46911H213H3b1914
MFCD09793231
ZINC000009422139
ZINC09422139
ZINC9422139

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Available files

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