Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(4-methylbenzyl)oxy]benzylidene}-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL369199
SMILES COCCN1C(=S)S/C(=C\c2ccc(c(c2)Br)OCc2ccc(cc2)C)/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 C21H20BrNO3S2 MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO3S2/c1-14-3-5-15(6-4-14)13-26-18-8-7-16(11-17(18)22)12-19-20(24)23(9-10-25-2)21(27)28-19/h3-8,11-12H,9-10,13H2,1-2H3/b19-12-InChIKey
NPUVKTURDFMICH-UNOMPAQXSA-NSynonyms
(5Z)5((3BROMO4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3bromo4((4methylbenzyl)oxy)benzylidene)3(2methoxyethyl)2thioxo13thiazolidin4one
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCOC)Br
COCCN1C(=S)SC(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C)C1=O
InChI=1SC21H20BrNO3S2c1143515(6414)1326188716(1117(18)22)121920(24)23(910252)21(27)2819h381112H91013H212H3b1912
MFCD03705273
ZINC000009295912
ZINC09295912
ZINC9295912
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