Vitas-M small molecule compound

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

Catalog ID
STK707016
SMILES CC(CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)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)13-26-21-19(23(30)28-11-5-6-17(4)22(28)27-21)12-20-24(31)29(25(32)33-20)14-18-9-7-16(3)8-10-18/h5-12,15,26H,13-14H2,1-4H3/b20-12-
InChIKey
XIIBFHCGUOYAAU-NDENLUEZSA-N
Synonyms
608497-32-1
(5Z)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
608497321
9methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2methylpropyl)amino)4Hpyrido(12a)pyrimidin4one
CC(CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)C
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C(=CC=CN4C3=O)C)NCC(C)C)SC2=S
InChI=1SC25H26N4O2S2c115(2)13262119(23(30)28115617(4)22(28)2721)122024(31)29(25(32)3320)14189716(3)81018h5121526H1314H214H3b2012
MFCD03689082
ZINC000009461864
ZINC9461864

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Available files

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