Vitas-M small molecule compound

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

Catalog ID
STK881781
SMILES CC(CNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)C)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 C25H26N4O2S2 MW 478.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S2/c1-15(2)13-26-22-19(23(30)28-14-16(3)10-11-21(28)27-22)12-20-24(31)29(25(32)33-20)17(4)18-8-6-5-7-9-18/h5-12,14-15,17,26H,13H2,1-4H3/b20-12-
InChIKey
VSDIYDIQAMJFME-NDENLUEZSA-N
Synonyms
608497-59-2
(5Z)5((7METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(isobutylamino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
608497592
7methyl2((2methylpropyl)amino)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(CNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)C)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)NCC(C)C)C=C1
InChI=1SC25H26N4O2S2c115(2)13262219(23(30)281416(3)101121(28)2722)122024(31)29(25(32)3320)17(4)188657918h51214151726H13H214H3b2012
MFCD03693027
ZINC000002255074
ZINC000002255076

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Available files

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