Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK801111
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1c(Oc2ccc(cc2)C(C)(C)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 C31H30N4O4 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4/c1-6-38-24-15-11-23(12-16-24)33-28(36)21(19-32)18-26-29(34-27-20(2)8-7-17-35(27)30(26)37)39-25-13-9-22(10-14-25)31(3,4)5/h7-18H,6H2,1-5H3,(H,33,36)/b21-18+InChIKey
YJRHJBOFLKZMLU-DYTRJAOYSA-NSynonyms
620111-16-2(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(4ethoxyphenyl)prop2enamide
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(4ethoxyphenyl)acrylamide
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
620111162
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=C(C=C4)C(C)(C)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)C#N
InChI=1SC31H30N4O4c163824151123(121624)3328(36)21(1932)182629(342720(2)871735(27)30(26)37)392513922(101425)31(34)5h718H6H215H3(H3336)b2118+
MFCD04447274
ZINC000002427053
ZINC2427053
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.