Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK073215
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2
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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 C26H24N2O8 MW 492.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O8/c1-14-23(26(30)34-12-15-6-8-16(33-2)9-7-15)24(25-18(27-14)4-3-5-20(25)29)17-10-21-22(36-13-35-21)11-19(17)28(31)32/h6-11,24,27H,3-5,12-13H2,1-2H3InChIKey
DWTZEHFNKFSIAJ-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2
InChI=1SC26H24N2O8c11423(26(30)3412156816(332)9715)24(2518(2714)43520(25)29)17102122(36133521)1119(17)28(31)32h6112427H351213H212H3
MFCD01446370
STK073215
ZINC000019762113
ZINC000019762116
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