Vitas-M small molecule compound
(5E)-5-{3-chloro-4-[3-(2,3-dimethylphenoxy)propoxy]-5-ethoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK001369
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCCOc2cccc(c2C)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 C26H28ClNO4S2 MW 518.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClNO4S2/c1-5-11-28-25(29)23(34-26(28)33)16-19-14-20(27)24(22(15-19)30-6-2)32-13-8-12-31-21-10-7-9-17(3)18(21)4/h5,7,9-10,14-16H,1,6,8,11-13H2,2-4H3/b23-16+InChIKey
WVRVQJQUJVFWFF-XQNSMLJCSA-NSynonyms
(5E)5((3chloro4(3(23dimethylphenoxy)propoxy)5ethoxyphenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO4(3(23DIMETHYLPHENOXY)PROPOXY)5ETHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OCCCOc2cccc(c2C)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OCCCOC3=CC=CC(=C3C)C
InChI=1SC26H28ClNO4S2c15112825(29)23(3426(28)33)16191420(27)24(22(1519)3062)32138123121107917(3)18(21)4h579101416H1681113H224H3b2316+
MFCD08049020
STK001369
ZINC000008916015
ZINC08916015
ZINC8916015
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