Vitas-M small molecule compound
(5E)-5-{2-[2-(4-tert-butylphenoxy)ethoxy]-3,5-dichlorobenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK016372
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)cc(c2OCCOc2ccc(cc2)C(C)(C)C)Cl)/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 C25H25Cl2NO3S2 MW 522.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25Cl2NO3S2/c1-5-10-28-23(29)21(33-24(28)32)14-16-13-18(26)15-20(27)22(16)31-12-11-30-19-8-6-17(7-9-19)25(2,3)4/h5-9,13-15H,1,10-12H2,2-4H3/b21-14+InChIKey
XAAKKRMVJSNBIN-KGENOOAVSA-NSynonyms
(5E)5((2(2(4tertbutylphenoxy)ethoxy)35dichlorophenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(2(2(4TERTBUTYLPHENOXY)ETHOXY)35DICHLOROBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)cc(c2OCCOc2ccc(cc2)C(C)(C)C)Cl)C1=O
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2C=C3C(=O)N(C(=S)S3)CC=C)Cl)Cl
InChI=1SC25H25Cl2NO3S2c15102823(29)21(3324(28)32)14161318(26)1520(27)22(16)31121130198617(7919)25(23)4h591315H11012H224H3b2114+
MFCD08049635
STK016372
ZINC000013940172
ZINC13940172
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