Vitas-M small molecule compound

2-[(2-hydroxyethyl)amino]-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK705201
SMILES OCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)OC)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 C23H22N4O4S2 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S2/c1-14-3-8-19-25-20(24-9-10-28)17(21(29)26(19)12-14)11-18-22(30)27(23(32)33-18)13-15-4-6-16(31-2)7-5-15/h3-8,11-12,24,28H,9-10,13H2,1-2H3/b18-11-
InChIKey
YMEFXPZTQNXJMY-WQRHYEAKSA-N
Synonyms
488826-45-5
(5Z)5((2(2HYDROXYETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHOXYPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((2hydroxyethyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methoxybenzyl)2thioxothiazolidin4one
2((2hydroxyethyl)amino)3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
488826455
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)NCCO)C=C1
InChI=1SC23H22N4O4S2c11438192520(2491028)17(21(29)26(19)1214)111822(30)27(23(32)3318)13154616(312)7515h3811122428H91013H212H3b1811
MFCD03294019
OCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)OC)C
ZINC000002372741
ZINC02372741
ZINC2372741

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.