Vitas-M small molecule compound

3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(1-phenylethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK052745
SMILES COc1cc(CCNC2C3=C(C(=O)N2C(c2ccccc2)C)CCCC3)ccc1OC

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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 C26H32N2O3 MW 420.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O3/c1-18(20-9-5-4-6-10-20)28-25(21-11-7-8-12-22(21)26(28)29)27-16-15-19-13-14-23(30-2)24(17-19)31-3/h4-6,9-10,13-14,17-18,25,27H,7-8,11-12,15-16H2,1-3H3
InChIKey
RSMADMFDHHKCIQ-UHFFFAOYSA-N
Synonyms

3((2(34dimethoxyphenyl)ethyl)amino)2(1phenylethyl)234567hexahydro1Hisoindol1one
3(2(34dimethoxyphenyl)ethylamino)2(1phenylethyl)4567tetrahydro3Hisoindol1one
CC(C1=CC=CC=C1)N2C(C3=C(C2=O)CCCC3)NCCC4=CC(=C(C=C4)OC)OC
COc1cc(CCNC2C3=C(C(=O)N2C(c2ccccc2)C)CCCC3)ccc1OC
InChI=1SC26H32N2O3c118(2095461020)2825(2111781222(21)26(28)29)27161519131423(302)24(1719)313h46910131417182527H7811121516H213H3
MFCD11851025
STK052745
ZINC000009434831
ZINC000013943759

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Available files

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