Vitas-M small molecule compound
ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756305
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-4-35-26(32)24-22(15-8-9-20-21(10-15)37-14-36-20)23-18(12-27(2,3)13-19(23)31)29(25(24)28)16-6-5-7-17(11-16)30(33)34/h5-11,22H,4,12-14,28H2,1-3H3InChIKey
FLJKFVAOSMHWOB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C5=CC(=CC=C5)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
ethyl2amino4(13benzodioxol5yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(13BENZODIOXOL5YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC27H27N3O7c143526(32)2422(15892021(1015)37143620)2318(1227(23)1319(23)31)29(25(24)28)1665717(1116)30(33)34h51122H4121428H213H3
MFCD01233781
ZINC000000714007
ZINC000000714009
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