Vitas-M small molecule compound
ethyl 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK772503
SMILES CCOC(=O)c1c(CSc2nc3c([nH]2)cccc3)n(c2c1cc(OC)c(c2)Br)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 C21H20BrN3O3S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3S/c1-4-28-20(26)19-12-9-18(27-3)13(22)10-16(12)25(2)17(19)11-29-21-23-14-7-5-6-8-15(14)24-21/h5-10H,4,11H2,1-3H3,(H,23,24)InChIKey
OYYYAHKFZPKNKN-UHFFFAOYSA-NSynonyms
634168-31-3634168313
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=NC4=CC=CC=C4N3
CCOC(=O)c1c(CSc2nc3c((nH)2)cccc3)n(c2c1cc(OC)c(c2)Br)C
ethyl2(((1Hbenzo(d)imidazol2yl)thio)methyl)6bromo5methoxy1methyl1Hindole3carboxylate
ETHYL2((1HBENZIMIDAZOL2YLSULFANYL)METHYL)6BROMO5METHOXY1METHYL1HINDOLE3CARBOXYLATE
ETHYL2(1HBENZIMIDAZOL2YLSULFANYLMETHYL)6BROMO5METHOXY1METHYLINDOLE3CARBOXYLATE
InChI=1SC21H20BrN3O3Sc142820(26)1912918(273)13(22)1016(12)25(2)17(19)1129212314756815(14)2421h510H411H213H3(H2324)
MFCD01606359
ZINC000001440348
ZINC01440348
ZINC1440348
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