Vitas-M small molecule compound

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK836795
SMILES CCC1CCCCN1C(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/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 C21H24N2O4S2 MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S2/c1-2-15-5-3-4-9-22(15)19(24)8-10-23-20(25)18(29-21(23)28)12-14-6-7-16-17(11-14)27-13-26-16/h6-7,11-12,15H,2-5,8-10,13H2,1H3/b18-12-
InChIKey
NNJMSRMWUXTICH-PDGQHHTCSA-N
Synonyms

(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(3(2ETHYLPIPERIDIN1YL)3OXOPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(13benzodioxol5ylmethylidene)3(3(2ethylpiperidin1yl)3oxopropyl)2thioxo13thiazolidin4one
(Z)5(benzo(d)(13)dioxol5ylmethylene)3(3(2ethylpiperidin1yl)3oxopropyl)2thioxothiazolidin4one
5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3(3(2ETHYLPIPERIDYL)3OXOPROPYL)2THIOXO13THIAZOLIDIN4ONE
CCC1CCCCN1C(=O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
CCC1CCCCN1C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
InChI=1SC21H24N2O4S2c1215534922(15)19(24)8102320(25)18(2921(23)28)1214671617(1114)27132616h67111215H2581013H21H3b1812
MFCD02078564
ZINC000001186216
ZINC000001186218

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Available files

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