Vitas-M small molecule compound

13-(4-fluorophenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one

Catalog ID
STK589673
SMILES COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)F)C2=C1CC(CC2=O)(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 C27H28FNO3 MW 433.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO3/c1-27(2)14-22-26(23(30)15-27)20(16-5-7-18(28)8-6-16)12-21-19-13-25(32-4)24(31-3)11-17(19)9-10-29(21)22/h5-8,11-13,20H,9-10,14-15H2,1-4H3
InChIKey
BJQAEPSZBKQFFF-UHFFFAOYSA-N
Synonyms
883950-74-1
13(4fluorophenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(4fluorophenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
13(4fluorophenyl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
883950741
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC27H28FNO3c127(2)142226(23(30)1527)20(165718(28)8616)1221191325(324)24(313)1117(19)91029(21)22h58111320H9101415H214H3
MFCD07639202
ZINC000009128770
ZINC000013591083

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Available files

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