Vitas-M small molecule compound
(5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK994333
SMILES S=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CCC(=O)N1CCCCCC1
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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 C20H22N2O4S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S2/c23-18(21-8-3-1-2-4-9-21)7-10-22-19(24)17(28-20(22)27)12-14-5-6-15-16(11-14)26-13-25-15/h5-6,11-12H,1-4,7-10,13H2/b17-12-InChIKey
IOLMXHXVEDJFHY-ATVHPVEESA-NSynonyms
(5Z)3(3(AZEPAN1YL)3OXOPROPYL)5(13BENZODIOXOL5YLMETHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(3(azepan1yl)3oxopropyl)5(13benzodioxol5ylmethylidene)2thioxo13thiazolidin4one
3(3AZAPERHYDROEPINYL3OXOPROPYL)5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)2THIOXO13THIAZOLIDIN4ONE
C1CCCN(CC1)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
InChI=1SC20H22N2O4S2c2318(2183124921)7102219(24)17(2820(22)27)1214561516(1114)26132515h561112H1471013H2b1712
MFCD02078562
S=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1CCC(=O)N1CCCCCC1
ZINC000001180139
ZINC01180139
ZINC1180139
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