Vitas-M small molecule compound
16-[4-(dimethylamino)phenyl]-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
STK598298
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccc(cc1)N(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 C30H34N2O3 MW 470.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O3/c1-30(2)17-25-29(26(33)18-30)23(19-6-8-21(9-7-19)31(3)4)15-24-22-16-28-27(34-12-5-13-35-28)14-20(22)10-11-32(24)25/h6-9,14-16,23H,5,10-13,17-18H2,1-4H3InChIKey
BAXUEHXKORGYEN-UHFFFAOYSA-NSynonyms
16(4(dimethylamino)phenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4(dimethylamino)phenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=C(C=C6)N(C)C)C(=O)C1)C
InChI=1SC30H34N2O3c130(2)172529(26(33)1830)23(196821(9719)31(3)4)152422162827(34125133528)1420(22)101132(24)25h69141623H510131718H214H3
MFCD07639215
ZINC000008974886
ZINC000008974887
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