Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905318
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-17-8-9-22-27-23(28-12-10-18-6-3-4-7-19(18)16-28)20(24(31)30(22)15-17)14-21-25(32)29(26(34)35-21)11-5-13-33-2/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3/b21-14-InChIKey
PBEPTZIBIBGARS-STZFKDTASA-NSynonyms
862245-08-7(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
862245087
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCC5=CC=CC=C5C4)C=C1
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCc3c(C2)cccc3)C1=O
InChI=1SC26H26N4O3S2c11789222723(28121018634719(18)1628)20(24(31)30(22)1517)142125(32)29(26(34)3521)11513332h34691415H5101316H212H3b2114
MFCD05698159
ZINC000013811002
ZINC13811002
Check stock
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Check stock on Vitas-MAvailable files
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