Vitas-M small molecule compound

(5Z)-3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-5-(4-ethylbenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK531759
SMILES CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCC(CC1)Cc1ccccc1

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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 C28H32N2O2S2 MW 492.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S2/c1-2-21-10-12-23(13-11-21)20-25-27(32)30(28(33)34-25)16-6-9-26(31)29-17-14-24(15-18-29)19-22-7-4-3-5-8-22/h3-5,7-8,10-13,20,24H,2,6,9,14-19H2,1H3/b25-20-
InChIKey
NPONKRRSNWZEFQ-QQTULTPQSA-N
Synonyms
315243-43-7
(5Z)3(4(4BENZYLPIPERIDIN1YL)4OXOBUTYL)5((4ETHYLPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(4(4benzylpiperidin1yl)4oxobutyl)5(4ethylbenzylidene)2thioxo13thiazolidin4one
(Z)3(4(4benzylpiperidin1yl)4oxobutyl)5(4ethylbenzylidene)2thioxothiazolidin4one
315243437
5((4ETHYLPHENYL)METHYLENE)3(4OXO4(4BENZYLPIPERIDYL)BUTYL)2THIOXO13THIAZOLIDIN4ONE
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4
CCc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)N1CCC(CC1)Cc1ccccc1
InChI=1SC28H32N2O2S2c1221101223(131121)202527(32)30(28(33)3425)166926(31)29171424(151829)19227435822h357810132024H2691419H21H3b2520
MFCD01951946
ZINC000008951763
ZINC08951763
ZINC8951763

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Available files

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