Vitas-M small molecule compound

2-(4-benzylpiperidin-1-yl)-7-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK799311
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCC(CC1)Cc1ccccc1)/C=C/1\SC(=S)N(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/c1-17-8-9-22-27-23(29-12-10-19(11-13-29)14-18-6-4-3-5-7-18)20(24(31)30(22)16-17)15-21-25(32)28(2)26(33)34-21/h3-9,15-16,19H,10-14H2,1-2H3/b21-15-
InChIKey
LCCCGLBFRKLYMN-QNGOZBTKSA-N
Synonyms

(5Z)5((2(4BENZYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperidin1yl)7methyl3((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
3METHYL5((7METHYL4OXO2(4BENZYLPIPERIDYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C)N4CCC(CC4)CC5=CC=CC=C5)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCC(CC1)Cc1ccccc1)C=C1SC(=S)N(C1=O)C
InChI=1SC26H26N4O2S2c11789222723(29121019(111329)14186435718)20(24(31)30(22)1617)152125(32)28(2)26(33)3421h39151619H1014H212H3b2115
MFCD03462370
ZINC000016156402
ZINC16156402

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Available files

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