Vitas-M small molecule compound
2-propoxyethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004162
SMILES CCCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[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 C24H30N2O6 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O6/c1-5-9-31-10-11-32-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-7-6-8-17(12-16)26(29)30/h6-8,12,21,25H,5,9-11,13-14H2,1-4H3InChIKey
MESOKHLKCBBNCO-UHFFFAOYSA-NSynonyms
2propoxyethyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2propoxyethyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CCCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC24H30N2O6c1593110113223(28)2015(2)25181324(34)1419(27)22(18)21(20)1676817(1216)26(29)30h68122125H59111314H214H3
MFCD02188797
STK004162
ZINC000002775660
ZINC000002775661
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