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-cyclohexylprop-2-enamide
Catalog ID
STK800030
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/C(=O)NC1CCCCC1
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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 C29H32N4O3 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3/c1-19-9-8-16-33-25(19)32-27(36-23-14-12-21(13-15-23)29(2,3)4)24(28(33)35)17-20(18-30)26(34)31-22-10-6-5-7-11-22/h8-9,12-17,22H,5-7,10-11H2,1-4H3,(H,31,34)/b20-17+InChIKey
XPLNEZIPOUXUNQ-LVZFUZTISA-NSynonyms
620111-13-9(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclohexylprop2enamide
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclohexylacrylamide
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONCYCLOHEXYLPROP2ENAMIDE
620111139
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H32N4O3c11998163325(19)3227(3623141221(131523)29(23)4)24(28(33)35)1720(1830)26(34)3122106571122h89121722H571011H214H3(H3134)b2017+
MFCD04154360
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)C(=O)NC1CCCCC1
ZINC000002399664
ZINC2399664
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.