Vitas-M small molecule compound
1-(3-bromo-2-hydroxy-5-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-3-carboxylate
Catalog ID
STL528331
SMILES Cc1cc(Br)c(c(c1)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-])O
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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 C19H17BrN2O3 MW 401.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O3/c1-9-6-12(18(23)13(20)7-9)17-16-11(8-15(22-17)19(24)25)10-4-2-3-5-14(10)21-16/h2-7,15,17,21-23H,8H2,1H3,(H,24,25)InChIKey
NXDQHZDLIIEYSV-UHFFFAOYSA-NSynonyms
1024017-27-31(3bromo2hydroxy5methylphenyl)2349tetrahydro1~(H)pyrido(34b)indol2ium3carboxylate
1(3bromo2hydroxy5methylphenyl)2349tetrahydro1Hbetacarbolin2ium3carboxylate
1024017273
3499605
InChI=1SC19H17BrN2O3c19612(18(23)13(20)79)171611(815(2217)19(24)25)10423514(10)2116h2715172123H8H21H3(H2425)
MFCD02185182
ZINC000001756431
ZINC000001756437
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