Vitas-M small molecule compound
(2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK799503
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2C)/C#N
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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 C29H26N4O4 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4/c1-5-36-23-13-11-22(12-14-23)31-27(34)21(17-30)16-24-28(37-25-10-6-8-18(2)20(25)4)32-26-19(3)9-7-15-33(26)29(24)35/h6-16H,5H2,1-4H3,(H,31,34)/b21-16+InChIKey
MALLLBRIQLXSKW-LTGZKZEYSA-NSynonyms
620537-55-5(2E)2cyano3(2(23dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)N(4ethoxyphenyl)prop2enamide
(E)2cyano3(2(23dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)N(4ethoxyphenyl)acrylamide
(E)2CYANO3(2(23DIMETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)N(4ETHOXYPHENYL)PROP2ENAMIDE
620537555
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC(=C4C)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2C)C#N
InChI=1SC29H26N4O4c153623131122(121423)3127(34)21(1730)162428(3725106818(2)20(25)4)322619(3)971533(26)29(24)35h616H5H214H3(H3134)b2116+
MFCD04191588
ZINC000002427391
ZINC2427391
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.