Vitas-M small molecule compound

8-(4-methoxyphenyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

Catalog ID
STK530386
SMILES COc1ccc(cc1)c1ccc2c(c1)c1CCCC3c1n2CCN3

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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 C21H22N2O MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O/c1-24-16-8-5-14(6-9-16)15-7-10-20-18(13-15)17-3-2-4-19-21(17)23(20)12-11-22-19/h5-10,13,19,22H,2-4,11-12H2,1H3
InChIKey
MXEXVQBKSULBLE-UHFFFAOYSA-N
Synonyms

8(4methoxyphenyl)233a456hexahydro1Hpyrazino(321jk)carbazole
8(4methoxyphenyl)233a456hexahydro1Hpyrazino(321jk)carbazolemethanesulfonate
COC1=CC=C(C=C1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5
CS(=O)(=O)OCOc1ccc(cc1)c1ccc2c(c1)c1CCCC3c1n2CCN3
InChI=1SC21H22N2Oc124168514(6916)157102018(1315)173241921(17)23(20)12112219h510131922H241112H21H3
MFCD02051195
ZINC000000287008
ZINC000000287010

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Available files

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