Vitas-M small molecule compound
4-chloro-3-{[(Z)-{5-cyano-4-methyl-2,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6-dihydropyridin-3(2H)-ylidene}methyl]amino}benzoic acid
Catalog ID
STK719262
SMILES N#CC1=C(C)/C(=C/Nc2cc(ccc2Cl)C(=O)O)/C(=O)N(C1=O)CCCN1CCCC1=O
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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 C22H21ClN4O5 MW 456.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O5/c1-13-15(11-24)20(29)27(9-3-8-26-7-2-4-19(26)28)21(30)16(13)12-25-18-10-14(22(31)32)5-6-17(18)23/h5-6,10,12,25H,2-4,7-9H2,1H3,(H,31,32)/b16-12-InChIKey
MXKMVFPFZNKJBL-VBKFSLOCSA-NSynonyms
(Z)4chloro3(((5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
4chloro3(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
4chloro3(((Z)(5cyano4methyl26dioxo1(3(2oxopyrrolidin1yl)propyl)pyridin3ylidene)methyl)amino)benzoicacid
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)C(=O)O)Cl)CCCN3CCCC3=O)C#N
InChI=1SC22H21ClN4O5c11315(1124)20(29)27(9382672419(26)28)21(30)16(13)1225181014(22(31)32)5617(18)23h56101225H2479H21H3(H3132)b1612
MFCD09798042
N#CC1=C(C)C(=CNc2cc(ccc2Cl)C(=O)O)C(=O)N(C1=O)CCCN1CCCC1=O
ZINC000008990416
ZINC8990416
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