Vitas-M small molecule compound

3-[(Z)-(3-cyclohexyl-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
STK704157
SMILES CC1CC(C)CN(C1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C26H32N4O2S2 MW 496.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2S2/c1-16-9-10-22-27-23(28-13-17(2)11-18(3)14-28)20(24(31)29(22)15-16)12-21-25(32)30(26(33)34-21)19-7-5-4-6-8-19/h9-10,12,15,17-19H,4-8,11,13-14H2,1-3H3/b21-12-
InChIKey
CPYSTYJMMMCSAZ-MTJSOVHGSA-N
Synonyms
797764-28-4
(5Z)3CYCLOHEXYL5((2(35DIMETHYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((2(35dimethylpiperidin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(35dimethylpiperidin1yl)7methyl4Hpyrido(12a)pyrimidin4one
797764284
CC1CC(C)CN(C1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCCC1)C
CC1CC(CN(C1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)C5CCCCC5)C
InChI=1SC26H32N4O2S2c116910222723(281317(2)1118(3)1428)20(24(31)29(22)1516)122125(32)30(26(33)3421)197546819h91012151719H48111314H213H3b2112
MFCD04446404
ZINC000013619083
ZINC000013619089

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.