Vitas-M small molecule compound

(5Z)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-5-(3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK606321
SMILES OCCC1CCCCN1C(=O)CCCN1C(=S)S/C(=C\c2cccc(c2)OC)/C1=O

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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 C22H28N2O4S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S2/c1-28-18-8-4-6-16(14-18)15-19-21(27)24(22(29)30-19)12-5-9-20(26)23-11-3-2-7-17(23)10-13-25/h4,6,8,14-15,17,25H,2-3,5,7,9-13H2,1H3/b19-15-
InChIKey
WZYWZUVVIRNXBN-CYVLTUHYSA-N
Synonyms
902320-43-8
(5Z)3(4(2(2HYDROXYETHYL)PIPERIDIN1YL)4OXOBUTYL)5((3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(4(2(2hydroxyethyl)piperidin1yl)4oxobutyl)5(3methoxybenzylidene)2thioxo13thiazolidin4one
(Z)3(4(2(2hydroxyethyl)piperidin1yl)4oxobutyl)5(3methoxybenzylidene)2thioxothiazolidin4one
3(4(2(2HYDROXYETHYL)PIPERIDYL)4OXOBUTYL)5((3METHOXYPHENYL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
902320438
COC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3CCCCC3CCO
InChI=1SC22H28N2O4S2c1281884616(1418)151921(27)24(22(29)3019)125920(26)231132717(23)101325h46814151725H2357913H21H3b1915
MFCD06790157
OCCC1CCCCN1C(=O)CCCN1C(=S)SC(=Cc2cccc(c2)OC)C1=O
ZINC000009348575
ZINC000013574222

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Available files

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