Vitas-M small molecule compound
1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium
Catalog ID
STL553187
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cccc1
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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 C22H22N5O3 MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-30-20-7-6-14(10-15(20)12-26-13-16(11-24-26)27(28)29)21-22-18(8-9-23-21)17-4-2-3-5-19(17)25-22/h2-7,10-11,13,21,23,25H,8-9,12H2,1H3/p+1InChIKey
ZMXXEJHYJHCWRO-UHFFFAOYSA-OSynonyms
1(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)2349tetrahydro1Hbetacarbolin2ium
1(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)2349tetrahydro1Hpyrido(34b)indolesesquiacetate
1(4methoxy3((4nitropyrazol1yl)methyl)phenyl)2349tetrahydro1~(H)pyrido(34b)indol2ium
4397042
CC(=O)OCC(=O)OCC(=O)OCOc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1NCCc2c1(nH)c1c2cccc1COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1NCCc2c1(nH)c1c2cccc1
InChI=1SC22H21N5O3c130207614(1015(20)12261316(112426)27(28)29)212218(892321)17423519(17)2522h27101113212325H8912H21H3p+1
ZINC000001817067
ZINC000001817068
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