Vitas-M small molecule compound
10-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-6,7,8,10-tetrahydro[1,3]dioxolo[4,5-b]acridin-9(5H)-one
Catalog ID
STK334777
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(Nc3c1cc1OCOc1c3)CC(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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-23(2)8-14-21(16(26)9-23)20(11-4-15(25(28)29)22(27)19(5-11)30-3)12-6-17-18(32-10-31-17)7-13(12)24-14/h4-7,20,24,27H,8-10H2,1-3H3InChIKey
GRAUCXQLIKGAGE-UHFFFAOYSA-NSynonyms
10(4hydroxy3methoxy5nitrophenyl)77dimethyl56810tetrahydro(13)benzodioxolo(56b)quinolin9one
10(4hydroxy3methoxy5nitrophenyl)77dimethyl67810tetrahydro(13)dioxolo(45b)acridin9(5H)one
CC1(CC2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC(=C(C(=C5)OC)O)(N+)(=O)(O))C(=O)C1)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C2=C(Nc3c1cc1OCOc1c3)CC(CC2=O)(C)C
InChI=1SC23H22N2O7c123(2)81421(16(26)923)20(11415(25(28)29)22(27)19(511)303)1261718(32103117)713(12)2414h47202427H810H213H3
MFCD09963626
ZINC000018197495
ZINC000018197497
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