Vitas-M small molecule compound
butyl 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
STK368894
SMILES CCCCOC(=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 C24H28N2O7 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7/c1-5-6-7-31-23(28)20-13(2)25-15-10-24(3,4)11-17(27)22(15)21(20)14-8-18-19(33-12-32-18)9-16(14)26(29)30/h8-9,21,25H,5-7,10-12H2,1-4H3InChIKey
GHBLXZSCAKDKOL-UHFFFAOYSA-NSynonyms
butyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
butyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC24H28N2O7c15673123(28)2013(2)25151024(34)1117(27)22(15)21(20)1481819(33123218)916(14)26(29)30h892125H571012H214H3
MFCD00320703
ZINC000002066865
ZINC000002066866
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