Vitas-M small molecule compound
methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Catalog ID
STK705477
SMILES N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)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 C20H14ClN3O4 MW 395.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3O4/c1-12-9-14(6-7-16(12)21)28-18-15(10-13(11-22)20(26)27-2)19(25)24-8-4-3-5-17(24)23-18/h3-10H,1-2H3/b13-10+InChIKey
TXKXZOPCYYFOHL-JLHYYAGUSA-NSynonyms
620108-00-1(E)methyl3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
620108001
CC1=C(C=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)OC)Cl
InChI=1SC20H14ClN3O4c112914(6716(12)21)281815(1013(1122)20(26)272)19(25)24843517(24)2318h310H12H3b1310+
methyl(2E)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
METHYL(E)3(2(4CHLORO3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
MFCD04183923
N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)C(=O)OC
ZINC000004205465
ZINC4205465
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