Vitas-M small molecule compound

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

Catalog ID
STK904565
SMILES CCCCCCCCNc1nc2ccc(cn2c(=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 C29H34N4O2S2 MW 534.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O2S2/c1-4-5-6-7-8-9-16-30-26-23(27(34)32-18-21(3)12-15-25(32)31-26)17-24-28(35)33(29(36)37-24)19-22-13-10-20(2)11-14-22/h10-15,17-18,30H,4-9,16,19H2,1-3H3/b24-17-
InChIKey
VTPCYZJYIUDOKO-ULJHMMPZSA-N
Synonyms
608497-86-5
(5Z)5((7METHYL2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((7methyl2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
608497865
7methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(octylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCNC1=C(C(=O)N2C=C(C=CC2=N1)C)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C
CCCCCCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)C
InChI=1SC29H34N4O2S2c145678916302623(27(34)321821(3)121525(32)3126)172428(35)33(29(36)3724)1922131020(2)111422h1015171830H491619H213H3b2417
MFCD03684939
ZINC000100999916
ZINC100999916

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Available files

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