Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-ylmethyl)-5-(4-tert-butylbenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK877690
SMILES S=C1S/C(=C/c2ccc(cc2)C(C)(C)C)/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C22H21NO3S2 MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO3S2/c1-22(2,3)16-7-4-14(5-8-16)11-19-20(24)23(21(27)28-19)12-15-6-9-17-18(10-15)26-13-25-17/h4-11H,12-13H2,1-3H3/b19-11+InChIKey
FIAPHRBPRJMCAC-YBFXNURJSA-NSynonyms
(5E)3(13BENZODIOXOL5YLMETHYL)5((4TERTBUTYLPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5ylmethyl)5(4tertbutylbenzylidene)2thioxo13thiazolidin4one
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC3=CC4=C(C=C3)OCO4
InChI=1SC22H21NO3S2c122(23)167414(5816)111920(24)23(21(27)2819)1215691718(1015)26132517h411H1213H213H3b1911+
MFCD18170245
S=C1SC(=Cc2ccc(cc2)C(C)(C)C)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000001159442
ZINC01159442
ZINC1159442
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