Vitas-M small molecule compound
(2E)-2-cyano-N-(3-methoxyphenyl)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Catalog ID
STK800840
SMILES COc1cccc(c1)NC(=O)/C(=C/c1c(Oc2ccc(cc2)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 C26H20N4O4 MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O4/c1-17-9-11-20(12-10-17)34-25-22(26(32)30-13-4-3-8-23(30)29-25)14-18(16-27)24(31)28-19-6-5-7-21(15-19)33-2/h3-15H,1-2H3,(H,28,31)/b18-14+InChIKey
WCMHGISCNRHGPM-NBVRZTHBSA-NSynonyms
(2E)2cyanoN(3methoxyphenyl)3(2(4methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enamide
(E)2cyanoN(3methoxyphenyl)3(2(4methylphenoxy)4oxopyrido(12a)pyrimidin3yl)prop2enamide
CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4=CC(=CC=C4)OC
COc1cccc(c1)NC(=O)C(=Cc1c(Oc2ccc(cc2)C)nc2n(c1=O)cccc2)C#N
InChI=1SC26H20N4O4c11791120(121017)342522(26(32)301343823(30)2925)1418(1627)24(31)281965721(1519)332h315H12H3(H2831)b1814+
MFCD04447197
ZINC000016735971
ZINC16735971
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