Vitas-M small molecule compound

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

Catalog ID
STK586108
SMILES COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)C(C)(C)C)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 C31H37NO3 MW 471.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO3/c1-30(2,3)21-10-8-19(9-11-21)23-15-24-22-16-28(35-7)27(34-6)14-20(22)12-13-32(24)25-17-31(4,5)18-26(33)29(23)25/h8-11,14-16,23H,12-13,17-18H2,1-7H3
InChIKey
XLRCXNYMFFLEMA-UHFFFAOYSA-N
Synonyms
883950-73-0
13(4(tertbutyl)phenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
13(4tertbutylphenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(4tertbutylphenyl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
883950730
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC=C(C=C5)C(C)(C)C)C(=O)C1)C
InChI=1SC31H37NO3c130(23)2110819(91121)231524221628(357)27(346)1420(22)121332(24)251731(45)1826(33)29(23)25h811141623H12131718H217H3
MFCD07639217
ZINC000013591089
ZINC000013591091

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Available files

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