Vitas-M small molecule compound
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-3-carboxylate
Catalog ID
STL528366
SMILES COc1cc(cc(c1O)Br)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=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 C19H17BrN2O4 MW 417.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4/c1-26-15-7-9(6-12(20)18(15)23)16-17-11(8-14(22-16)19(24)25)10-4-2-3-5-13(10)21-17/h2-7,14,16,21-23H,8H2,1H3,(H,24,25)InChIKey
OQHIGQNYZKAIPR-UHFFFAOYSA-NSynonyms
1023970-37-71(3bromo4hydroxy5methoxyphenyl)2349tetrahydro1~(H)pyrido(34b)indol2ium3carboxylate
1(3bromo4hydroxy5methoxyphenyl)2349tetrahydro1Hbetacarbolin2ium3carboxylate
1023970377
5188174
InChI=1SC19H17BrN2O4c1261579(612(20)18(15)23)161711(814(2216)19(24)25)10423513(10)2117h2714162123H8H21H3(H2425)
MFCD02185461
ZINC000001803633
ZINC000001803639
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