Vitas-M small molecule compound
3-[(5E)-5-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-chlorobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Catalog ID
STK538058
SMILES Clc1ccc(c(c1)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)C(=O)O)OCCOc1ccc(cc1)C(C)(C)C
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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 C29H26ClNO5S2 MW 568.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClNO5S2/c1-29(2,3)20-7-10-23(11-8-20)35-13-14-36-24-12-9-21(30)15-19(24)17-25-26(32)31(28(37)38-25)22-6-4-5-18(16-22)27(33)34/h4-12,15-17H,13-14H2,1-3H3,(H,33,34)/b25-17+InChIKey
FCYCLHMCADDGNT-KOEQRZSOSA-NSynonyms
(E)3(5(2(2(4(tertbutyl)phenoxy)ethoxy)5chlorobenzylidene)4oxo2thioxothiazolidin3yl)benzoicacid
3((5E)5((2(2(4tertbutylphenoxy)ethoxy)5chlorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)benzoicacid
3((5E)5(2(2(4tertbutylphenoxy)ethoxy)5chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)benzoicacid
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O
Clc1ccc(c(c1)C=C1SC(=S)N(C1=O)c1cccc(c1)C(=O)O)OCCOc1ccc(cc1)C(C)(C)C
InChI=1SC29H26ClNO5S2c129(23)2071023(11820)351314362412921(30)1519(24)172526(32)31(28(37)3825)2264518(1622)27(33)34h4121517H1314H213H3(H3334)b2517+
MFCD02999525
ZINC000097966542
ZINC97966542
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