Vitas-M small molecule compound
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK707208
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-3-4-12-30-25(32)21(34-26(30)33)15-20-23(27-22-17(2)8-7-13-29(22)24(20)31)28-14-11-18-9-5-6-10-19(18)16-28/h5-10,13,15H,3-4,11-12,14,16H2,1-2H3/b21-15-InChIKey
INBDPJLIJLKNFX-QNGOZBTKSA-NSynonyms
573706-46-4(5Z)3BUTYL5((2(34DIHYDRO1HISOQUINOLIN2YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((2(34dihydroisoquinolin2(1H)yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(34dihydroisoquinolin2(1H)yl)9methyl4Hpyrido(12a)pyrimidin4one
573706464
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC5=CC=CC=C5C4)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)C1=O
InChI=1SC26H26N4O2S2c134123025(32)21(3426(30)33)152023(272217(2)871329(22)24(20)31)281411189561019(18)1628h5101315H3411121416H212H3b2115
MFCD04018097
ZINC000002445376
ZINC2445376
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.