Vitas-M small molecule compound
methyl 4-chloro-2-{[(Z)-{5-cyano-4-methyl-2,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6-dihydropyridin-3(2H)-ylidene}methyl]amino}benzoate
Catalog ID
STK719248
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(CCCN2CCCC2=O)C(=O)C(=C1C)C#N)Cl
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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 C23H23ClN4O5 MW 470.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O5/c1-14-17(12-25)21(30)28(10-4-9-27-8-3-5-20(27)29)22(31)18(14)13-26-19-11-15(24)6-7-16(19)23(32)33-2/h6-7,11,13,26H,3-5,8-10H2,1-2H3/b18-13-InChIKey
QAUPNRDFPKOLRZ-AQTBWJFISA-NSynonyms
(Z)methyl4chloro2(((5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)Cl)C(=O)OC)CCCN3CCCC3=O)C#N
COC(=O)c1ccc(cc1NC=C1C(=O)N(CCCN2CCCC2=O)C(=O)C(=C1C)C#N)Cl
InChI=1SC23H23ClN4O5c11417(1225)21(30)28(10492783520(27)29)22(31)18(14)1326191115(24)6716(19)23(32)332h67111326H35810H212H3b1813
methyl4chloro2(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)pyridin3ylidene)methyl)amino)benzoate
MFCD09791996
ZINC000009575647
ZINC09575647
ZINC9575647
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