Vitas-M small molecule compound
1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Catalog ID
STK524144
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1NC(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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-15-11-18(8-9-23(15)30(33)34)36-14-17-12-16(7-10-24(17)35-2)25-26-20(13-22(29-25)27(31)32)19-5-3-4-6-21(19)28-26/h3-12,22,25,28-29H,13-14H2,1-2H3,(H,31,32)InChIKey
FDZGIBMCXYYELL-UHFFFAOYSA-NSynonyms
1031210-85-11(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
1(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)2349tetrahydro1Hpyrido(34b)indol2ium3carboxylate
1(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C4=C(CC((NH2+)3)C(=O)(O))C5=CC=CC=C5N4)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C1NC(Cc2c1(nH)c1c2cccc1)C(=O)O
InChI=1SC27H25N3O6c1151118(8923(15)30(33)34)3614171216(71024(17)352)252620(1322(2925)27(31)32)19534621(19)2826h31222252829H1314H212H3(H3132)
ZINC000009033848
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