Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK143691
SMILES CCOc1cc(/C=C/2\SC(=S)N(C2=O)n2c(C)ccc2C)cc(c1OCc1ccc(cc1)F)Br
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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 C25H22BrFN2O3S2 MW 561.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrFN2O3S2/c1-4-31-21-12-18(11-20(26)23(21)32-14-17-7-9-19(27)10-8-17)13-22-24(30)29(25(33)34-22)28-15(2)5-6-16(28)3/h5-13H,4,14H2,1-3H3/b22-13-InChIKey
ORXMOWRJAHMYRS-XKZIYDEJSA-NSynonyms
(5Z)5((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3(25DIMETHYLPYRROL1YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYLIDENE)3(25DIMETHYL1HPYRROL1YL)2THIOXO13THIAZOLIDIN4ONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)N3C(=CC=C3C)C)Br)OCC4=CC=C(C=C4)F
CCOc1cc(C=C2SC(=S)N(C2=O)n2c(C)ccc2C)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC25H22BrFN2O3S2c1431211218(1120(26)23(21)3214177919(27)10817)132224(30)29(25(33)3422)2815(2)5616(28)3h513H414H213H3b2213
MFCD06253054
ZINC000097960448
ZINC97960448
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