Vitas-M small molecule compound
(5E)-5-(4-{3-[4-(butan-2-yl)phenoxy]propoxy}-3-ethoxybenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK017844
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OCC)OCCCOc2ccc(cc2)C(CC)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 C28H33NO4S2 MW 511.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO4S2/c1-5-15-29-27(30)26(35-28(29)34)19-21-9-14-24(25(18-21)31-7-3)33-17-8-16-32-23-12-10-22(11-13-23)20(4)6-2/h5,9-14,18-20H,1,6-8,15-17H2,2-4H3/b26-19+InChIKey
CWIVUJWMDOQMCV-LGUFXXKBSA-NSynonyms
(5E)5((4(3(4butan2ylphenoxy)propoxy)3ethoxyphenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(4(3(4(BUTAN2YL)PHENOXY)PROPOXY)3ETHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OCC)OCCCOc2ccc(cc2)C(CC)C)C1=O
CCC(C)C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C)OCC
InChI=1SC28H33NO4S2c15152927(30)26(3528(29)34)192191424(25(1821)3173)33178163223121022(111323)20(4)62h59141820H1681517H224H3b2619+
MFCD08049711
STK017844
ZINC000008984991
ZINC000008984994
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