Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Catalog ID
STK799658
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C)nc2n(c1=O)cccc2C)/C(=O)NC1CCS(=O)(=O)C1
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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 C24H22N4O5S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S/c1-15-5-7-19(8-6-15)33-23-20(24(30)28-10-3-4-16(2)21(28)27-23)12-17(13-25)22(29)26-18-9-11-34(31,32)14-18/h3-8,10,12,18H,9,11,14H2,1-2H3,(H,26,29)/b17-12+InChIKey
XDFIBOOZYPDVFP-SFQUDFHCSA-NSynonyms
620111-80-0(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(9methyl2(4methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enamide
(E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(9methyl4oxo2(ptolyloxy)4Hpyrido(12a)pyrimidin3yl)acrylamide
(E)2CYANON(11DIOXOTHIOLAN3YL)3(9METHYL2(4METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENAMIDE
620111800
CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NC4CCS(=O)(=O)C4
InChI=1SC24H22N4O5Sc1155719(8615)332320(24(30)28103416(2)21(28)2723)1217(1325)22(29)261891134(3132)1418h38101218H91114H212H3(H2629)b1712+
MFCD04195309
N#CC(=Cc1c(Oc2ccc(cc2)C)nc2n(c1=O)cccc2C)C(=O)NC1CCS(=O)(=O)C1
ZINC000009003846
ZINC000009003847
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.