Vitas-M small molecule compound
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK837530
SMILES S=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CCC(=O)N1CCCc2c1cccc2
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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 C23H20N2O4S2 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S2/c26-21(24-10-3-5-16-4-1-2-6-17(16)24)9-11-25-22(27)20(31-23(25)30)13-15-7-8-18-19(12-15)29-14-28-18/h1-2,4,6-8,12-13H,3,5,9-11,14H2/b20-13-InChIKey
MDEJJIJIKPEMRU-MOSHPQCFSA-NSynonyms
(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(3(34DIHYDRO2HQUINOLIN1YL)3OXOPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(13benzodioxol5ylmethylidene)3(3(34dihydroquinolin1(2H)yl)3oxopropyl)2thioxo13thiazolidin4one
(Z)5(benzo(d)(13)dioxol5ylmethylene)3(3(34dihydroquinolin1(2H)yl)3oxopropyl)2thioxothiazolidin4one
C1CC2=CC=CC=C2N(C1)C(=O)CCN3C(=O)C(=CC4=CC5=C(C=C4)OCO5)SC3=S
InChI=1SC23H20N2O4S2c2621(24103516412617(16)24)9112522(27)20(3123(25)30)1315781819(1215)29142818h124681213H3591114H2b2013
MFCD02078566
S=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1CCC(=O)N1CCCc2c1cccc2
ZINC000001172919
ZINC01172919
ZINC1172919
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