Vitas-M small molecule compound
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK994315
SMILES O=C(N1CCC(CC1)Cc1ccccc1)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 C26H26N2O4S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S2/c29-24(27-11-8-19(9-12-27)14-18-4-2-1-3-5-18)10-13-28-25(30)23(34-26(28)33)16-20-6-7-21-22(15-20)32-17-31-21/h1-7,15-16,19H,8-14,17H2/b23-16-InChIKey
DICHOWCEEPOHHL-KQWNVCNZSA-NSynonyms
(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(3(4BENZYLPIPERIDIN1YL)3OXOPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(13benzodioxol5ylmethylidene)3(3(4benzylpiperidin1yl)3oxopropyl)2thioxo13thiazolidin4one
5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3(3OXO3(4BENZYLPIPERIDYL)PROPYL)2THIOXO13THIAZOLIDIN4ONE
C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=O)C(=CC4=CC5=C(C=C4)OCO5)SC3=S
InChI=1SC26H26N2O4S2c2924(2711819(91227)14184213518)10132825(30)23(3426(28)33)1620672122(1520)32173121h17151619H81417H2b2316
MFCD02078567
O=C(N1CCC(CC1)Cc1ccccc1)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000009434108
ZINC09434108
ZINC9434108
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