Vitas-M small molecule compound
1-benzyl-6-bromo-4-[(dimethylammonio)methyl]-3-(ethoxycarbonyl)-2-[(phenylsulfanyl)methyl]-1H-indol-5-olate
Catalog ID
STL048286
SMILES CCOC(=O)c1c2c(C[NH+](C)C)c([O-])c(cc2n(c1CSc1ccccc1)Cc1ccccc1)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 C28H29BrN2O3S MW 553.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN2O3S/c1-4-34-28(33)26-24(18-35-20-13-9-6-10-14-20)31(16-19-11-7-5-8-12-19)23-15-22(29)27(32)21(25(23)26)17-30(2)3/h5-15,32H,4,16-18H2,1-3H3InChIKey
QGBWGFZKHSJGAS-UHFFFAOYSA-NSynonyms
116736-30-2116736302
1benzyl6bromo4((dimethylammonio)methyl)3(ethoxycarbonyl)2((phenylsulfanyl)methyl)1Hindol5olate
1BENZYL6BROMO4((DIMETHYLAZANIUMYL)METHYL)3ETHOXYCARBONYL2(PHENYLSULFANYLMETHYL)INDOL5OLATE
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C(NH+)(C)C)(O))Br)CC3=CC=CC=C3)CSC4=CC=CC=C4
CCOC(=O)c1c2c(C(NH+)(C)C)c((O))c(cc2n(c1CSc1ccccc1)Cc1ccccc1)Br
ETHYL1BENZYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
ETHYL4((DIMETHYLAMINO)METHYL)6BROMO5HYDROXY1BENZYL2(PHENYLTHIOMETHYL)INDOLE3CARBOXYLATE
InChI=1SC28H29BrN2O3Sc143428(33)2624(1835201396101420)31(1619117581219)231522(29)27(32)21(25(23)26)1730(2)3h51532H41618H213H3
MFCD00329037
ZINC000002596173
ZINC2596173
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