Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[3-(4-ethylphenoxy)propoxy]benzylidene}-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK075314
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)CC)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 C29H28ClNO4S2 MW 554.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClNO4S2/c1-3-20-11-13-23(14-12-20)34-15-8-16-35-27-24(30)17-21(18-25(27)33-4-2)19-26-28(32)31(29(36)37-26)22-9-6-5-7-10-22/h5-7,9-14,17-19H,3-4,8,15-16H2,1-2H3/b26-19+InChIKey
NLQAWDICXXKMKE-LGUFXXKBSA-NSynonyms
(5E)5((3chloro5ethoxy4(3(4ethylphenoxy)propoxy)phenyl)methylidene)3phenyl2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO5ETHOXY4(3(4ETHYLPHENOXY)PROPOXY)BENZYLIDENE)3PHENYL2THIOXO13THIAZOLIDIN4ONE
CCC1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)OCC
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)CC)Cl
InChI=1SC29H28ClNO4S2c1320111323(141220)3415816352724(30)1721(1825(27)3342)192628(32)31(29(36)3726)2296571022h579141719H3481516H212H3b2619+
MFCD08672798
STK075314
ZINC000097958998
ZINC97958998
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