Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
Catalog ID
STK705571
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)NC1CCCC1
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-27(2,3)19-11-13-21(14-12-19)34-25-22(26(33)31-15-7-6-10-23(31)30-25)16-18(17-28)24(32)29-20-8-4-5-9-20/h6-7,10-16,20H,4-5,8-9H2,1-3H3,(H,29,32)/b18-16+InChIKey
HRGRPKXVTMAHBV-FBMGVBCBSA-NSynonyms
620105-03-5(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclopentylprop2enamide
(E)3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclopentylacrylamide
(E)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONCYCLOPENTYLPROP2ENAMIDE
620105035
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4CCCC4
InChI=1SC27H28N4O3c127(23)19111321(141219)342522(26(33)3115761023(31)3025)1618(1728)24(32)2920845920h67101620H4589H213H3(H2932)b1816+
MFCD04191060
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)NC1CCCC1
ZINC000013779197
ZINC13779197
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