Vitas-M small molecule compound
ethyl (2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Catalog ID
STK800026
SMILES CCOC(=O)/C(=C/c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-6-31-24(30)17(15-26)14-20-22(27-21-16(2)8-7-13-28(21)23(20)29)32-19-11-9-18(10-12-19)25(3,4)5/h7-14H,6H2,1-5H3/b17-14+InChIKey
IKBPTWQFGADHHQ-SAPNQHFASA-NSynonyms
620111-04-8(E)ethyl3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
620111048
CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)OC3=CC=C(C=C3)C(C)(C)C)C#N
CCOC(=O)C(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)C#N
ethyl(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
ETHYL(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
InChI=1SC25H25N3O4c163124(30)17(1526)142022(272116(2)871328(21)23(20)29)321911918(101219)25(34)5h714H6H215H3b1714+
MFCD04188641
ZINC000002423816
ZINC2423816
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