Vitas-M small molecule compound
(5E)-5-(3-methoxy-4-{2-[(4-methylbenzyl)sulfanyl]ethoxy}benzylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STL367807
SMILES COc1cc(ccc1OCCSCc1ccc(cc1)C)/C=C\1/SC(=O)NC1=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 C21H21NO4S2 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S2/c1-14-3-5-15(6-4-14)13-27-10-9-26-17-8-7-16(11-18(17)25-2)12-19-20(23)22-21(24)28-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23,24)/b19-12+InChIKey
WCYDESZQWKVJNG-XDHOZWIPSA-NSynonyms
(5E)5((3methoxy4(2((4methylphenyl)methylsulfanyl)ethoxy)phenyl)methylidene)13thiazolidine24dione
(5E)5(3methoxy4(2((4methylbenzyl)sulfanyl)ethoxy)benzylidene)13thiazolidine24dione
CC1=CC=C(C=C1)CSCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)S3)OC
COc1cc(ccc1OCCSCc1ccc(cc1)C)C=C1SC(=O)NC1=O
InChI=1SC21H21NO4S2c1143515(6414)132710926178716(1118(17)252)121920(23)2221(24)2819h381112H91013H212H3(H222324)b1912+
MFCD28951928
ZINC000096191236
ZINC96191236
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