Vitas-M small molecule compound

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

Catalog ID
STK876513
SMILES CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)/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 C28H30N4O2S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S2/c1-19(2)18-32-27(34)23(36-28(32)35)17-22-25(29-24-10-6-7-13-31(24)26(22)33)30-14-11-21(12-15-30)16-20-8-4-3-5-9-20/h3-10,13,17,19,21H,11-12,14-16,18H2,1-2H3/b23-17-
InChIKey
WMHQGVJZICSYCH-QJOMJCCJSA-N
Synonyms

(5Z)5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isobutyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C)CN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C1=O)C
InChI=1SC28H30N4O2S2c119(2)183227(34)23(3628(32)35)172225(292410671331(24)26(22)33)30141121(121530)16208435920h31013171921H1112141618H212H3b2317
MFCD02992353
ZINC000008872583
ZINC8872583

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Available files

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