Vitas-M small molecule compound
9-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
STK881085
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cccc3C)/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/c1-5-6-7-8-9-10-15-31-26(33)22(36-27(31)35)18-21-23(28-14-12-17-34-19(2)3)29-24-20(4)13-11-16-30(24)25(21)32/h11,13,16,18-19,28H,5-10,12,14-15,17H2,1-4H3/b22-18-InChIKey
WPLKROSDXCTCAZ-PYCFMQQDSA-NSynonyms
799831-33-7(5Z)5((9METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3isopropoxypropyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3octyl2thioxothiazolidin4one
799831337
9methyl3((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)cccc3C)C1=O
InChI=1SC27H38N4O3S2c15678910153126(33)22(3627(31)35)182123(281412173419(2)3)292420(4)13111630(24)25(21)32h111316181928H51012141517H214H3b2218
MFCD03684313
ZINC000100998945
ZINC100998945
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.