Vitas-M small molecule compound
1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-3-carboxylate
Catalog ID
STL528288
SMILES [O-]C(=O)C1Cc2c3ccccc3[nH]c2C([NH2+]1)c1coc2c(c1=O)cccc2
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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 C21H16N2O4 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4/c24-20-12-6-2-4-8-17(12)27-10-14(20)19-18-13(9-16(23-19)21(25)26)11-5-1-3-7-15(11)22-18/h1-8,10,16,19,22-23H,9H2,(H,25,26)InChIKey
KVUHRGCWHSLKBK-UHFFFAOYSA-NSynonyms
1023949-54-31(4oxo4Hchromen3yl)2349tetrahydro1Hbetacarbolin2ium3carboxylate
1(4oxochromen3yl)2349tetrahydro1~(H)pyrido(34b)indol2ium3carboxylate
1023949543
3369768
InChI=1SC21H16N2O4c242012624817(12)271014(20)191813(916(2319)21(25)26)11513715(11)2218h181016192223H9H2(H2526)
MFCD02184730
ZINC000001867546
ZINC000001867549
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