Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK085787
SMILES C=CCN1C(=S)S/C(=C\c2cc(Br)c(c(c2)OCC)OCCOc2cc(C)cc(c2)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 C25H26BrNO4S2 MW 548.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrNO4S2/c1-5-7-27-24(28)22(33-25(27)32)15-18-13-20(26)23(21(14-18)29-6-2)31-9-8-30-19-11-16(3)10-17(4)12-19/h5,10-15H,1,6-9H2,2-4H3/b22-15-InChIKey
CYOKYLAOHIEGSN-JCMHNJIXSA-NSynonyms
(5Z)5((3BROMO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3BROMO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Br)c(c(c2)OCC)OCCOc2cc(C)cc(c2)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OCCOC3=CC(=CC(=C3)C)C
InChI=1SC25H26BrNO4S2c1572724(28)22(3325(27)32)15181320(26)23(21(1418)2962)319830191116(3)1017(4)1219h51015H169H224H3b2215
MFCD05976438
STK085787
ZINC000097959131
ZINC97959131
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