Vitas-M small molecule compound
9,10-dimethoxy-3,3-dimethyl-13-(4-nitrophenyl)-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK576556
SMILES COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)[N+](=O)[O-])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 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(16-5-7-18(8-6-16)29(31)32)12-21-19-13-25(34-4)24(33-3)11-17(19)9-10-28(21)22/h5-8,11-13,20H,9-10,14-15H2,1-4H3InChIKey
BQLJXEYDCOOARG-UHFFFAOYSA-NSynonyms
879478-81-6879478816
910dimethoxy33dimethyl13(4nitrophenyl)2346713hexahydro1Hisoquino(21a)quinolin1one
910dimethoxy33dimethyl13(4nitrophenyl)2346713hexahydro1Hisoquinolino(21a)quinolin1one
910dimethoxy33dimethyl13(4nitrophenyl)46713tetrahydro2Hisoquinolino(21a)quinolin1one
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)(N+)(=O)(O))C2=C1CC(CC2=O)(C)C
InChI=1SC27H28N2O5c127(2)142226(23(30)1527)20(165718(8616)29(31)32)1221191325(344)24(333)1117(19)91028(21)22h58111320H9101415H214H3
MFCD07639962
ZINC000008972188
ZINC000009129288
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