Vitas-M small molecule compound
(5Z)-5-{5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK076091
SMILES C=CCN1C(=S)S/C(=C\c2cc(Cl)ccc2OCCOc2ccc(cc2)C2CCCCC2)/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 C27H28ClNO3S2 MW 514.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO3S2/c1-2-14-29-26(30)25(34-27(29)33)18-21-17-22(28)10-13-24(21)32-16-15-31-23-11-8-20(9-12-23)19-6-4-3-5-7-19/h2,8-13,17-19H,1,3-7,14-16H2/b25-18-InChIKey
PKQKYTSLGRKQDL-BWAHOGKJSA-NSynonyms
(5Z)5((5chloro2(2(4cyclohexylphenoxy)ethoxy)phenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5Z)5(5CHLORO2(2(4CYCLOHEXYLPHENOXY)ETHOXY)BENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=O)C(=CC2=C(C=CC(=C2)Cl)OCCOC3=CC=C(C=C3)C4CCCCC4)SC1=S
C=CCN1C(=S)SC(=Cc2cc(Cl)ccc2OCCOc2ccc(cc2)C2CCCCC2)C1=O
InChI=1SC27H28ClNO3S2c12142926(30)25(3427(29)33)18211722(28)101324(21)321615312311820(91223)196435719h28131719H1371416H2b2518
MFCD02109264
STK076091
ZINC000013899351
ZINC13899351
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