Vitas-M small molecule compound
(5Z)-5-{2-[3-(4-tert-butylphenoxy)propoxy]-5-chlorobenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK055711
SMILES C=CCN1C(=S)S/C(=C\c2cc(Cl)ccc2OCCCOc2ccc(cc2)C(C)(C)C)/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 C26H28ClNO3S2 MW 502.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClNO3S2/c1-5-13-28-24(29)23(33-25(28)32)17-18-16-20(27)9-12-22(18)31-15-6-14-30-21-10-7-19(8-11-21)26(2,3)4/h5,7-12,16-17H,1,6,13-15H2,2-4H3/b23-17-InChIKey
ZGJBFHWTRWMAKA-QJOMJCCJSA-NSynonyms
(5Z)5((2(3(4tertbutylphenoxy)propoxy)5chlorophenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5Z)5(2(3(4TERTBUTYLPHENOXY)PROPOXY)5CHLOROBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)ccc2OCCCOc2ccc(cc2)C(C)(C)C)C1=O
CC(C)(C)C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC26H28ClNO3S2c15132824(29)23(3325(28)32)17181620(27)91222(18)3115614302110719(81121)26(23)4h57121617H161315H224H3b2317
MFCD05976437
STK055711
ZINC000020130964
ZINC20130964
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