Vitas-M small molecule compound
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate
Catalog ID
STK050585
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)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 C19H17ClN2O4 MW 372.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O4/c1-11-10-19(2,3)21-16-7-5-13(9-14(11)16)26-18(23)12-4-6-15(20)17(8-12)22(24)25/h4-10,21H,1-3H3InChIKey
DOHRGFGQDUCFAU-UHFFFAOYSA-NSynonyms
309293-52-5(224TRIMETHYL1HQUINOLIN6YL)4CHLORO3NITROBENZOATE
224TRIMETHYL12DIHYDROQUINOLIN6YL4CHLORO3NITROBENZOATE
309293525
4CHLORO3NITROBENZOICACID224TRIMETHYL12DIHYDROQUINOLIN6YLESTER
CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))(C)C
InChI=1SC19H17ClN2O4c1111019(23)21167513(914(11)16)2618(23)124615(20)17(812)22(24)25h41021H13H3
MFCD01561313
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Oc1ccc2c(c1)C(=CC(N2)(C)C)C
STK050585
ZINC000000849811
ZINC00849811
ZINC849811
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