Vitas-M small molecule compound
(2E)-2-cyano-N-(4-ethoxyphenyl)-3-[9-methyl-2-(3-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Catalog ID
STL234440
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCCC(C1)C)/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 C27H29N5O3 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3/c1-4-35-22-11-9-21(10-12-22)29-26(33)20(16-28)15-23-25(31-13-5-7-18(2)17-31)30-24-19(3)8-6-14-32(24)27(23)34/h6,8-12,14-15,18H,4-5,7,13,17H2,1-3H3,(H,29,33)/b20-15+InChIKey
FBHKEJNUYJVSMN-HMMYKYKNSA-NSynonyms
849923-79-1(2E)2cyanoN(4ethoxyphenyl)3(9methyl2(3methylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enamide
(E)2cyanoN(4ethoxyphenyl)3(9methyl2(3methylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)acrylamide
(E)2CYANON(4ETHOXYPHENYL)3(9METHYL2(3METHYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENAMIDE
849923791
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCCC(C4)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCCC(C1)C)C#N
InChI=1SC27H29N5O3c14352211921(101222)2926(33)20(1628)152325(31135718(2)1731)302419(3)861432(24)27(23)34h6812141518H4571317H213H3(H2933)b2015+
MFCD03669032
ZINC000002216783
ZINC000009501603
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.