Vitas-M small molecule compound
(5Z)-5-(5-bromo-3-ethoxy-2-hydroxybenzylidene)-3-(4-ethoxyphenyl)-1-methyl-2-thioxoimidazolidin-4-one
Catalog ID
STL378783
SMILES CCOc1ccc(cc1)N1C(=S)N(/C(=C\c2cc(Br)cc(c2O)OCC)/C1=O)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 C21H21BrN2O4S MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4S/c1-4-27-16-8-6-15(7-9-16)24-20(26)17(23(3)21(24)29)11-13-10-14(22)12-18(19(13)25)28-5-2/h6-12,25H,4-5H2,1-3H3/b17-11-InChIKey
BJZQIWIYDJBCQA-BOPFTXTBSA-NSynonyms
(5Z)5((5BROMO3ETHOXY2HYDROXYPHENYL)METHYLIDENE)3(4ETHOXYPHENYL)1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(5bromo3ethoxy2hydroxybenzylidene)3(4ethoxyphenyl)1methyl2thioxoimidazolidin4one
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)OCC)Br)N(C2=S)C
CCOc1ccc(cc1)N1C(=S)N(C(=Cc2cc(Br)cc(c2O)OCC)C1=O)C
InChI=1SC21H21BrN2O4Sc1427168615(7916)2420(26)17(23(3)21(24)29)11131014(22)1218(19(13)25)2852h61225H45H213H3b1711
MFCD03716305
ZINC000001113151
ZINC01113151
ZINC1113151
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