Vitas-M small molecule compound
9,10-dimethoxy-3,3-dimethyl-13-(3-nitrophenyl)-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK595665
SMILES COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cccc(c3)[N+](=O)[O-])c2cc1OC
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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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2)14-22-26(23(30)15-27)20(16-6-5-7-18(10-16)29(31)32)12-21-19-13-25(34-4)24(33-3)11-17(19)8-9-28(21)22/h5-7,10-13,20H,8-9,14-15H2,1-4H3InChIKey
YWEJSBHVZJBFIQ-UHFFFAOYSA-NSynonyms
879586-81-9879586819
910dimethoxy33dimethyl13(3nitrophenyl)2346713hexahydro1Hisoquino(21a)quinolin1one
910dimethoxy33dimethyl13(3nitrophenyl)2346713hexahydro1Hisoquinolino(21a)quinolin1one
910dimethoxy33dimethyl13(3nitrophenyl)46713tetrahydro2Hisoquinolino(21a)quinolin1one
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cccc(c3)(N+)(=O)(O))c2cc1OC
InChI=1SC27H28N2O5c127(2)142226(23(30)1527)20(1665718(1016)29(31)32)1221191325(344)24(333)1117(19)8928(21)22h57101320H891415H214H3
MFCD07639267
ZINC000008994149
ZINC000008994150
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