Vitas-M small molecule compound
methyl (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enoate
Catalog ID
STK817742
SMILES COC(=O)/C(=C/c1c(Oc2cc(C)ccc2C(C)C)nc2n(c1=O)cccc2)/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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-14(2)17-9-8-15(3)11-19(17)30-21-18(12-16(13-24)23(28)29-4)22(27)26-10-6-5-7-20(26)25-21/h5-12,14H,1-4H3/b16-12+InChIKey
YYUQUROVWRYIEH-FOWTUZBSSA-NSynonyms
620108-31-8(E)methyl2cyano3(2(2isopropyl5methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylate
620108318
CC1=CC(=C(C=C1)C(C)C)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)OC
COC(=O)C(=Cc1c(Oc2cc(C)ccc2C(C)C)nc2n(c1=O)cccc2)C#N
InChI=1SC23H21N3O4c114(2)179815(3)1119(17)302118(1216(1324)23(28)294)22(27)261065720(26)2521h51214H14H3b1612+
methyl(2E)2cyano3(2(5methyl2(propan2yl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enoate
METHYL(E)2CYANO3(2(5METHYL2PROPAN2YLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENOATE
MFCD04447545
ZINC000004205477
ZINC4205477
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