Vitas-M small molecule compound
(5E)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK320442
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCc1ccc(cc1)Br)CC=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 C28H22BrClFNO3S2 MW 618.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrClFNO3S2/c1-3-5-19-12-18(13-24(34-4-2)26(19)35-16-17-6-8-20(29)9-7-17)14-25-27(33)32(28(36)37-25)21-10-11-23(31)22(30)15-21/h3,6-15H,1,4-5,16H2,2H3/b25-14+InChIKey
CVPGSFMTDXKXKW-AFUMVMLFSA-NSynonyms
(5E)5((4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)3(3chloro4fluorophenyl)2sulfanylidene13thiazolidin4one
(5E)5(4((4BROMOBENZYL)OXY)3ETHOXY5(PROP2EN1YL)BENZYLIDENE)3(3CHLORO4FLUOROPHENYL)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)N(C(=S)S3)C4=CC(=C(C=C4)F)Cl
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC28H22BrClFNO3S2c135191218(1324(3442)26(19)3516176820(29)9717)142527(33)32(28(36)3725)21101123(31)22(30)1521h3615H14516H22H3b2514+
MFCD03614418
ZINC000097962222
ZINC97962222
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