Vitas-M small molecule compound
(5Z)-5-{3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxybenzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK018655
SMILES CCN1C(=S)S/C(=C\c2cc(Cl)c(c(c2)OC)OCCOc2ccc(cc2)C2CCCCC2)/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 C27H30ClNO4S2 MW 532.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO4S2/c1-3-29-26(30)24(35-27(29)34)17-18-15-22(28)25(23(16-18)31-2)33-14-13-32-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,15-17,19H,3-8,13-14H2,1-2H3/b24-17-InChIKey
WBRSKYNLMUZXGD-ULJHMMPZSA-NSynonyms
(5Z)5((3CHLORO4(2(4CYCLOHEXYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3CHLORO4(2(4CYCLOHEXYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)3ETHYL2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCCOC3=CC=C(C=C3)C4CCCCC4)OC)SC1=S
CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OC)OCCOc2ccc(cc2)C2CCCCC2)C1=O
InChI=1SC27H30ClNO4S2c132926(30)24(3527(29)34)17181522(28)25(23(1618)312)331413322111920(101221)197546819h912151719H381314H212H3b2417
MFCD02109283
STK018655
ZINC000100198576
ZINC100198576
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