Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK707206
SMILES CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/C1=O)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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-16(2)14-30-25(32)21(34-26(30)33)13-20-23(27-22-17(3)7-6-11-29(22)24(20)31)28-12-10-18-8-4-5-9-19(18)15-28/h4-9,11,13,16H,10,12,14-15H2,1-3H3/b21-13-InChIKey
BNNPHXWWMBTOAT-BKUYFWCQSA-NSynonyms
573941-07-8(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isobutyl2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)9methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
573941078
CC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)C1=O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCC5=CC=CC=C5C4
InChI=1SC26H26N4O2S2c116(2)143025(32)21(3426(30)33)132023(272217(3)761129(22)24(20)31)28121018845919(18)1528h49111316H10121415H213H3b2113
MFCD04020484
ZINC000002220280
ZINC2220280
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.