Vitas-M small molecule compound

4'-tert-butyl-6-methoxy-2,3,4,9-tetrahydrospiro[beta-carboline-1,1'-cyclohexane]

Catalog ID
STK686959
SMILES COc1ccc2c(c1)c1CCNC3(c1[nH]2)CCC(CC3)C(C)(C)C

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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 C21H30N2O MW 326.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O/c1-20(2,3)14-7-10-21(11-8-14)19-16(9-12-22-21)17-13-15(24-4)5-6-18(17)23-19/h5-6,13-14,22-23H,7-12H2,1-4H3
InChIKey
LSVYUUDFHWHORL-UHFFFAOYSA-N
Synonyms
4tertbutyl6methoxy2349tetrahydrospiro(betacarboline11cyclohexane)
4tertbutyl6methoxyspiro(2349tetrahydropyrido(34b)indole11cyclohexane)
CC(C)(C)C1CCC2(CC1)C3=C(CCN2)C4=C(N3)C=CC(=C4)OC
COc1ccc2c(c1)c1CCNC3(c1(nH)2)CCC(CC3)C(C)(C)C
Registry IDs
MFCD06616907
ZINC000001304673
ZINC1304673

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Available files

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