Vitas-M small molecule compound

2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK291861
SMILES COc1cc(CCN2C(=O)C3=C(C2c2cn(c4c2cccc4)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 C27H30N2O3 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3/c1-28-17-22(19-8-6-7-11-23(19)28)26-20-9-4-5-10-21(20)27(30)29(26)15-14-18-12-13-24(31-2)25(16-18)32-3/h6-8,11-13,16-17,26H,4-5,9-10,14-15H2,1-3H3
InChIKey
XPURUEBBZVCKKD-UHFFFAOYSA-N
Synonyms

2(2(34dimethoxyphenyl)ethyl)3(1methyl1Hindol3yl)234567hexahydro1Hisoindol1one
2(2(34dimethoxyphenyl)ethyl)3(1methylindol3yl)4567tetrahydro3Hisoindol1one
CN1C=C(C2=CC=CC=C21)C3C4=C(CCCC4)C(=O)N3CCC5=CC(=C(C=C5)OC)OC
InChI=1SC27H30N2O3c1281722(198671123(19)28)26209451021(20)27(30)29(26)151418121324(312)25(1618)323h681113161726H459101415H213H3
MFCD09960401
ZINC000013945660
ZINC000013945661

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Available files

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