Vitas-M small molecule compound
(5Z)-5-{4-[(4-bromobenzyl)oxy]-3-methoxybenzylidene}-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369655
SMILES CCN1C(=O)/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)Br)/N(C1=S)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 C21H21BrN2O3S MW 461.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3S/c1-4-24-20(25)17(23(2)21(24)28)11-15-7-10-18(19(12-15)26-3)27-13-14-5-8-16(22)9-6-14/h5-12H,4,13H2,1-3H3/b17-11-InChIKey
HLPSXBMLXATKLN-BOPFTXTBSA-NSynonyms
(5Z)5((4((4BROMOPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)3ETHYL1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(4((4bromobenzyl)oxy)3methoxybenzylidene)3ethyl1methyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Br)OC)N(C1=S)C
CCN1C(=O)C(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)Br)N(C1=S)C
InChI=1SC21H21BrN2O3Sc142420(25)17(23(2)21(24)28)111571018(19(1215)263)2713145816(22)9614h512H413H213H3b1711
MFCD03716256
ZINC000001112919
ZINC01112919
ZINC1112919
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