Vitas-M small molecule compound
ethyl 5-bromo-4-[(dimethylamino)methyl]-6-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Catalog ID
STL186111
SMILES CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(Br)c(c2)O)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H25BrN2O3S MW 477.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-17(13-29-14-9-7-6-8-10-14)25(4)16-11-18(26)21(23)15(19(16)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3InChIKey
UJJGNQLBXAEDDI-UHFFFAOYSA-NSynonyms
1794855-44-91794855449
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)Br)O)C)CSC3=CC=CC=C3
ethyl5bromo4((dimethylamino)methyl)6hydroxy1methyl2((phenylsulfanyl)methyl)1Hindole3carboxylate
ethyl5bromo4((dimethylamino)methyl)6hydroxy1methyl2(phenylsulfanylmethyl)indole3carboxylate
InChI=1SC22H25BrN2O3Sc152822(27)2017(13291497681014)25(4)161118(26)21(23)15(19(16)20)1224(2)3h61126H51213H214H3
MFCD22387693
ZINC000072329978
ZINC72329978
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