Vitas-M small molecule compound
3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK904566
SMILES CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCS(=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 C25H32N4O4S3 MW 548.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S3/c1-3-4-5-6-7-8-12-26-21-19(23(30)28-13-9-10-17(2)22(28)27-21)15-20-24(31)29(25(34)35-20)18-11-14-36(32,33)16-18/h9-10,13,15,18,26H,3-8,11-12,14,16H2,1-2H3/b20-15-InChIKey
IRHREYAEEWTQOP-HKWRFOASSA-NSynonyms
608497-36-5(5Z)3(11DIOXOTHIOLAN3YL)5((9METHYL2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(11dioxidotetrahydrothiophen3yl)5((9methyl2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(octylamino)4Hpyrido(12a)pyrimidin4one
608497365
CCCCCCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4
CCCCCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1
InChI=1SC25H32N4O4S3c134567812262119(23(30)281391017(2)22(28)2721)152024(31)29(25(34)3520)18111436(3233)1618h91013151826H3811121416H212H3b2015
MFCD03693873
ZINC000101020961
ZINC000101020964
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.