Vitas-M small molecule compound
(5E)-5-(3-chloro-5-ethoxy-4-{3-[5-methyl-2-(propan-2-yl)phenoxy]propoxy}benzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK024010
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1cc(C)ccc1C(C)C)Cl
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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 C31H32ClNO4S2 MW 582.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClNO4S2/c1-5-35-27-18-22(19-28-30(34)33(31(38)39-28)23-10-7-6-8-11-23)17-25(32)29(27)37-15-9-14-36-26-16-21(4)12-13-24(26)20(2)3/h6-8,10-13,16-20H,5,9,14-15H2,1-4H3/b28-19+InChIKey
BPCDKGXBHBFFFR-TURZUDJPSA-NSynonyms
(5E)5((3chloro5ethoxy4(3(5methyl2propan2ylphenoxy)propoxy)phenyl)methylidene)3phenyl2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO5ETHOXY4(3(5METHYL2(PROPAN2YL)PHENOXY)PROPOXY)BENZYLIDENE)3PHENYL2THIOXO13THIAZOLIDIN4ONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)Cl)OCCCOC4=C(C=CC(=C4)C)C(C)C
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1cc(C)ccc1C(C)C)Cl
InChI=1SC31H32ClNO4S2c1535271822(192830(34)33(31(38)3928)23107681123)1725(32)29(27)371591436261621(4)121324(26)20(2)3h6810131620H591415H214H3b2819+
MFCD08049968
STK024010
ZINC000097958067
ZINC97958067
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