Vitas-M small molecule compound
2-methylpropyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071334
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-15(2)13-35-28(32)25-16(3)29-20-9-18(17-7-5-4-6-8-17)10-22(31)27(20)26(25)19-11-23-24(37-14-36-23)12-21(19)30(33)34/h4-8,11-12,15,18,26,29H,9-10,13-14H2,1-3H3InChIKey
OJMFBJLYJYNJRU-UHFFFAOYSA-NSynonyms
2methylpropyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OCC(C)C
InChI=1SC28H28N2O7c115(2)133528(32)2516(3)2920918(177546817)1022(31)27(20)26(25)19112324(37143623)1221(19)30(33)34h48111215182629H9101314H213H3
MFCD01445675
STK071334
ZINC000019770253
ZINC000019770256
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