Vitas-M small molecule compound
3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK707648
SMILES CCCCCCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)C
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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 C25H32N4O4S3 MW 548.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S3/c1-3-4-5-6-7-8-12-26-22-19(23(30)28-15-17(2)9-10-21(28)27-22)14-20-24(31)29(25(34)35-20)18-11-13-36(32,33)16-18/h9-10,14-15,18,26H,3-8,11-13,16H2,1-2H3/b20-14-InChIKey
OFKNOQPRWZDFLU-ZHZULCJRSA-NSynonyms
608497-82-1(5Z)3(11DIOXOTHIOLAN3YL)5((7METHYL2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(11dioxidotetrahydrothiophen3yl)5((7methyl2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(octylamino)4Hpyrido(12a)pyrimidin4one
3(5((7METHYL2(OCTYLAMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)THIOLANE11DIONE
608497821
CCCCCCCCNC1=C(C(=O)N2C=C(C=CC2=N1)C)C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4
CCCCCCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)C
InChI=1SC25H32N4O4S3c134567812262219(23(30)281517(2)91021(28)2722)142024(31)29(25(34)3520)18111336(3233)1618h91014151826H38111316H212H3b2014
MFCD03694185
ZINC000101269294
ZINC000101269297
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