Vitas-M small molecule compound

(5Z)-3-{3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl}-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK622487
SMILES OCCC1CCCCN1C(=O)CCN1C(=S)S/C(=C\C=C\c2ccccc2)/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 C22H26N2O3S2 MW 430.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S2/c25-16-13-18-10-4-5-14-23(18)20(26)12-15-24-21(27)19(29-22(24)28)11-6-9-17-7-2-1-3-8-17/h1-3,6-9,11,18,25H,4-5,10,12-16H2/b9-6+,19-11-
InChIKey
HQXFMWPUCXBHIH-UHWVOIACSA-N
Synonyms
902024-88-8
(5Z)3(3(2(2hydroxyethyl)piperidin1yl)3oxopropyl)5((2E)3phenylprop2en1ylidene)2thioxo13thiazolidin4one
(5Z)3(3(2(2HYDROXYETHYL)PIPERIDIN1YL)3OXOPROPYL)5((E)3PHENYLPROP2ENYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3(2(2hydroxyethyl)piperidin1yl)3oxopropyl)5((E)3phenylallylidene)2thioxothiazolidin4one
5((2E)3PHENYLPROP2ENYLIDENE)3(3(2(2HYDROXYETHYL)PIPERIDYL)3OXOPROPYL)2THIOXO13THIAZOLIDIN4ONE
902024888
C1CCN(C(C1)CCO)C(=O)CCN2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
InChI=1SC22H26N2O3S2c2516131810451423(18)20(26)12152421(27)19(2922(24)28)1169177213817h1369111825H45101216H2b96+1911
MFCD06785992
OCCC1CCCCN1C(=O)CCN1C(=S)SC(=CC=Cc2ccccc2)C1=O
ZINC000013572674
ZINC000013572677

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Available files

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