Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STK800032
SMILES COCCCNC(=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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-18-8-6-14-31-23(18)30-25(35-21-11-9-20(10-12-21)27(2,3)4)22(26(31)33)16-19(17-28)24(32)29-13-7-15-34-5/h6,8-12,14,16H,7,13,15H2,1-5H3,(H,29,32)/b19-16+InChIKey
HLMZVGDJXSAKAN-KNTRCKAVSA-NSynonyms
620111-08-2(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)prop2enamide
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)acrylamide
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(3METHOXYPROPYL)PROP2ENAMIDE
620111082
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCCOC)OC3=CC=C(C=C3)C(C)(C)C
COCCCNC(=O)C(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)C#N
InChI=1SC27H30N4O4c11886143123(18)3025(352111920(101221)27(23)4)22(26(31)33)1619(1728)24(32)2913715345h68121416H71315H215H3(H2932)b1916+
MFCD04194758
ZINC000002431863
ZINC2431863
Check stock
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Check stock on Vitas-MAvailable files
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