Vitas-M small molecule compound

(2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethylprop-2-enamide

Catalog ID
STK881276
SMILES CCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)Cc1ccccc1)/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 C27H29N5O2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2/c1-3-29-26(33)22(18-28)17-23-25(30-24-19(2)8-7-13-32(24)27(23)34)31-14-11-21(12-15-31)16-20-9-5-4-6-10-20/h4-10,13,17,21H,3,11-12,14-16H2,1-2H3,(H,29,33)/b22-17+
InChIKey
JJSDWKDQCUKTNY-OQKWZONESA-N
Synonyms
796880-29-0
(2E)3(2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNethylprop2enamide
(E)3(2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNethylacrylamide
(E)3(2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONETHYLPROP2ENAMIDE
796880290
CCNC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CCC(CC3)CC4=CC=CC=C4)C#N
CCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)Cc1ccccc1)C#N
InChI=1SC27H29N5O2c132926(33)22(1828)172325(302419(2)871332(24)27(23)34)31141121(121531)162095461020h410131721H311121416H212H3(H2933)b2217+
MFCD03670139
ZINC000002201529
ZINC2201529

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Available files

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