Vitas-M small molecule compound

methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

Catalog ID
STK817327
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)OC

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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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-23(2,3)16-8-10-17(11-9-16)30-20-18(13-15(14-24)22(28)29-4)21(27)26-12-6-5-7-19(26)25-20/h5-13H,1-4H3/b15-13+
InChIKey
AGBQRVBXHWRKNH-FYWRMAATSA-N
Synonyms
620104-79-2
(E)methyl3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
620104792
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)OC
InChI=1SC23H21N3O4c123(23)1681017(11916)302018(1315(1424)22(28)294)21(27)261265719(26)2520h513H14H3b1513+
METHYL(2E)3(2(4(TERTBUTYL)PHENOXY)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))2CYANOPROP2ENOATE
methyl(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
METHYL(E)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
MFCD04172239
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)OC
ZINC000004205339
ZINC4205339

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Available files

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