Vitas-M small molecule compound
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
Catalog ID
STK002799
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc2c(c1)C(=CC(N2)(C)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 C19H17N3O6 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6/c1-11-10-19(2,3)20-17-5-4-15(9-16(11)17)28-18(23)12-6-13(21(24)25)8-14(7-12)22(26)27/h4-10,20H,1-3H3InChIKey
BSGLKJWPMQLOJV-UHFFFAOYSA-NSynonyms
304870-87-9(224TRIMETHYL1HQUINOLIN6YL)35DINITROBENZOATE
224TRIMETHYL12DIHYDROQUINOLIN6YL35DINITROBENZOATE
224TRIMETHYL612DIHYDROQUINOLYL35DINITROBENZOATE
304870879
35DINITROBENZOICACID224TRIMETHYL12DIHYDROQUINOLIN6YLESTER
CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))(C)C
InChI=1SC19H17N3O6c1111019(23)20175415(916(11)17)2818(23)12613(21(24)25)814(712)22(26)27h41020H13H3
MFCD01051516
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1ccc2c(c1)C(=CC(N2)(C)C)C
STK002799
ZINC000004548712
ZINC04548712
ZINC4548712
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