Vitas-M small molecule compound

1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-beta-carboline

Catalog ID
STK094616
SMILES COc1ccc(cc1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C1NCCc2c1[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 C29H31N5O3 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3/c1-37-27-11-6-20(28-29-25(12-13-30-28)24-4-2-3-5-26(24)31-29)18-21(27)19-32-14-16-33(17-15-32)22-7-9-23(10-8-22)34(35)36/h2-11,18,28,30-31H,12-17,19H2,1H3
InChIKey
VTMALPXYFQHBFL-UHFFFAOYSA-N
Synonyms
387882-94-2
1(4methoxy3((4(4nitrophenyl)piperazin1yl)methyl)phenyl)2349tetrahydro1Hbetacarboline
1(4methoxy3((4(4nitrophenyl)piperazin1yl)methyl)phenyl)2349tetrahydro1Hpyrido(34b)indole
387882942
COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C1NCCc2c1(nH)c1c2cccc1
InChI=1SC29H31N5O3c1372711620(282925(12133028)24423526(24)3129)1821(27)1932141633(171532)227923(10822)34(35)36h21118283031H121719H21H3
MFCD02089320
STK094616
ZINC000009730586
ZINC000009730587

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.