Vitas-M small molecule compound
1-{[4-(4-nitrophenoxy)phenyl]sulfonyl}octahydroquinolin-4(1H)-one
Catalog ID
STK679263
SMILES O=C1CCN(C2C1CCCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
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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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c24-21-13-14-22(20-4-2-1-3-19(20)21)30(27,28)18-11-9-17(10-12-18)29-16-7-5-15(6-8-16)23(25)26/h5-12,19-20H,1-4,13-14H2InChIKey
MZANFQNQIXOJOX-UHFFFAOYSA-NSynonyms
1((4(4NITROPHENOXY)PHENYL)SULFONYL)OCTAHYDROQUINOLIN4(1H)ONE
1(4(4nitrophenoxy)phenyl)sulfonyl234a56788aoctahydroquinolin4one
5((4(4NITROPHENOXY)PHENYL)SULFONYL)5AZABICYCLO(440)DECAN2ONE
C1CCC2C(C1)C(=O)CCN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H22N2O6Sc2421131422(20421319(20)21)30(2728)1811917(101218)29167515(6816)23(25)26h5121920H141314H2
MFCD03408964
O=C1CCN(C2C1CCCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000001050246
ZINC000169697147
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