Vitas-M small molecule compound
3-[(E)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,5-dimethylpiperidin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL237146
SMILES CC1CC(C)CN(C1)c1nc2ccc(cn2c(=O)c1/C=C\1/SC(=S)N(C1=O)C1CCCC1)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 C25H30N4O2S2 MW 482.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S2/c1-15-8-9-21-26-22(27-12-16(2)10-17(3)13-27)19(23(30)28(21)14-15)11-20-24(31)29(25(32)33-20)18-6-4-5-7-18/h8-9,11,14,16-18H,4-7,10,12-13H2,1-3H3/b20-11+InChIKey
IAEDBDFSQGSMBZ-RGVLZGJSSA-NSynonyms
(5E)3cyclopentyl5((2(35dimethylpiperidin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3cyclopentyl5((2(35dimethylpiperidin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((E)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(35dimethylpiperidin1yl)7methyl4Hpyrido(12a)pyrimidin4one
CC1CC(C)CN(C1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCC1)C
CC1CC(CN(C1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)C5CCCC5)C
InChI=1SC25H30N4O2S2c11589212622(271216(2)1017(3)1327)19(23(30)28(21)1415)112024(31)29(25(32)3320)18645718h8911141618H47101213H213H3b2011+
MFCD03663820
ZINC000033923531
ZINC000080357438
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