Vitas-M small molecule compound

2-methoxyethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK096155
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])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 C23H26N2O8 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O8/c1-12-19(22(27)31-6-5-30-4)20(21-14(24-12)9-23(2,3)10-16(21)26)13-7-17-18(33-11-32-17)8-15(13)25(28)29/h7-8,20,24H,5-6,9-11H2,1-4H3
InChIKey
ZLACKYAEYGAASF-UHFFFAOYSA-N
Synonyms

2methoxyethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC23H26N2O8c11219(22(27)3165304)20(2114(2412)923(23)1016(21)26)1371718(33113217)815(13)25(28)29h782024H56911H214H3
MFCD00770954
STK096155
ZINC000002775471
ZINC000002775472

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Available files

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