Vitas-M small molecule compound
(5E)-5-{4-[3-(4-tert-butylphenoxy)propoxy]-3-ethoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK079431
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OCC)OCCCOc2ccc(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 C28H33NO4S2 MW 511.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO4S2/c1-6-15-29-26(30)25(35-27(29)34)19-20-9-14-23(24(18-20)31-7-2)33-17-8-16-32-22-12-10-21(11-13-22)28(3,4)5/h6,9-14,18-19H,1,7-8,15-17H2,2-5H3/b25-19+InChIKey
FOBXSSPBMMQLOT-NCELDCMTSA-NSynonyms
(5E)5((4(3(4tertbutylphenoxy)propoxy)3ethoxyphenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(4(3(4TERTBUTYLPHENOXY)PROPOXY)3ETHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OCC)OCCCOc2ccc(cc2)C(C)(C)C)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OCCCOC3=CC=C(C=C3)C(C)(C)C
InChI=1SC28H33NO4S2c16152926(30)25(3527(29)34)192091423(24(1820)3172)33178163222121021(111322)28(34)5h69141819H1781517H225H3b2519+
MFCD08672784
STK079431
ZINC000009660149
ZINC09660149
ZINC9660149
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