Vitas-M small molecule compound
16-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK590172
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccc(cc1)C(C)(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 C32H37NO3 MW 483.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO3/c1-31(2,3)22-9-7-20(8-10-22)24-16-25-23-17-29-28(35-13-6-14-36-29)15-21(23)11-12-33(25)26-18-32(4,5)19-27(34)30(24)26/h7-10,15-17,24H,6,11-14,18-19H2,1-5H3InChIKey
DKZBSBCVECJBAY-UHFFFAOYSA-NSynonyms
883950-52-516(4(tertbutyl)phenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
16(4tertbutylphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=C(C=C6)C(C)(C)C)C(=O)C1)C
Registry IDs
MFCD07638939ZINC000013577151
ZINC000013577153
Check stock
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Check stock on Vitas-MAvailable files
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