Vitas-M small molecule compound

N-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxybenzyl}tricyclo[3.3.1.1~3,7~]decan-2-amine

Catalog ID
STK513426
SMILES COc1cc(CNC2C3CC4CC2CC(C3)C4)cc(c1OCc1ccccc1Cl)Cl

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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 C25H29Cl2NO2 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29Cl2NO2/c1-29-23-12-17(11-22(27)25(23)30-14-18-4-2-3-5-21(18)26)13-28-24-19-7-15-6-16(9-19)10-20(24)8-15/h2-5,11-12,15-16,19-20,24,28H,6-10,13-14H2,1H3
InChIKey
MPAAETOTDNIFRR-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=CC=C5Cl
InChI=1SC25H29Cl2NO2c129231217(1122(27)25(23)301418423521(18)26)13282419715616(919)1020(24)815h251112151619202428H6101314H21H3
MFCD07409745
N((3CHLORO4((2CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYL)ADAMANTAN2AMINE
N(3chloro4((2chlorobenzyl)oxy)5methoxybenzyl)tricyclo(3311~37~)decan2amine
ZINC000020228400
ZINC20228400

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Available files

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