Vitas-M small molecule compound
7-methyl-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK903875
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)/C1=O
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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 C27H38N4O3S2 MW 530.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N4O3S2/c1-5-6-7-8-9-10-15-30-26(33)22(36-27(30)35)17-21-24(28-14-11-16-34-19(2)3)29-23-13-12-20(4)18-31(23)25(21)32/h12-13,17-19,28H,5-11,14-16H2,1-4H3/b22-17-InChIKey
GIIBOBAXMLJCST-XLNRJJMWSA-NSynonyms
799838-16-7(5Z)5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3octyl2thioxothiazolidin4one
799838167
7methyl3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCCCOC(C)C)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC27H38N4O3S2c15678910153026(33)22(3627(30)35)172124(281411163419(2)3)2923131220(4)1831(23)25(21)32h1213171928H5111416H214H3b2217
MFCD03685724
ZINC000101001655
ZINC101001655
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.