Vitas-M small molecule compound
ethyl 1-{3-[(1E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK706773
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NC1CCCCC1)\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 C27H33N5O4 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O4/c1-3-36-27(35)19-10-8-13-31(17-19)24-22(26(34)32-14-7-9-18(2)23(32)30-24)15-20(16-28)25(33)29-21-11-5-4-6-12-21/h7,9,14-15,19,21H,3-6,8,10-13,17H2,1-2H3,(H,29,33)/b20-15+InChIKey
BGDQKJOVXBXODM-HMMYKYKNSA-NSynonyms
796877-45-7(E)ethyl1(3(2cyano3(cyclohexylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
796877457
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NC1CCCCC1)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NC4CCCCC4
ethyl1(3((1E)2cyano3(cyclohexylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC27H33N5O4c133627(35)191081331(1719)2422(26(34)32147918(2)23(32)3024)1520(1628)25(33)2921115461221h7914151921H368101317H212H3(H2933)b2015+
MFCD03669204
ZINC000008739924
ZINC000008739925
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