Vitas-M small molecule compound
3-{[(Z)-{5-cyano-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene}methyl]amino}benzoic acid
Catalog ID
STK719260
SMILES N#CC1=C(C)/C(=C/Nc2cccc(c2)C(=O)O)/C(=O)N(C1=O)CCN1CCOCC1
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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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-14-17(12-22)19(26)25(6-5-24-7-9-30-10-8-24)20(27)18(14)13-23-16-4-2-3-15(11-16)21(28)29/h2-4,11,13,23H,5-10H2,1H3,(H,28,29)/b18-13-InChIKey
GFPVXMLNGWHGOD-AQTBWJFISA-NSynonyms
(Z)3(((5cyano4methyl1(2morpholinoethyl)26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
3(((Z)(5cyano4methyl1(2(morpholin4yl)ethyl)26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
3(((Z)(5cyano4methyl1(2morpholin4ium4ylethyl)26dioxopyridin3ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC(=C2)C(=O)(O))CC(NH+)3CCOCC3)C#N
InChI=1SC21H22N4O5c11417(1222)19(26)25(6524793010824)20(27)18(14)13231642315(1116)21(28)29h24111323H510H21H3(H2829)b1813
MFCD09846310
N#CC1=C(C)C(=CNc2cccc(c2)C(=O)O)C(=O)N(C1=O)CCN1CCOCC1
ZINC000009423167
ZINC9423167
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