Vitas-M small molecule compound
N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxy-3-nitrobenzyl)methanesulfonamide
Catalog ID
STK775288
SMILES COc1ccc(cc1[N+](=O)[O-])CN(S(=O)(=O)C)c1ccc2c3c1cccc3CC2
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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-28-20-11-6-14(12-19(20)23(24)25)13-22(29(2,26)27)18-10-9-16-8-7-15-4-3-5-17(18)21(15)16/h3-6,9-12H,7-8,13H2,1-2H3InChIKey
SIMISKCZJZJLMU-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)CN(C2=C3C=CC=C4C3=C(CC4)C=C2)S(=O)(=O)C)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CN(S(=O)(=O)C)c1ccc2c3c1cccc3CC2
InChI=1SC21H20N2O5Sc1282011614(1219(20)23(24)25)1322(29(226)27)1810916871543517(18)21(15)16h36912H7813H212H3
MFCD05257057
N(12DIHYDROACENAPHTHYLEN5YL)N((4METHOXY3NITROPHENYL)METHYL)METHANESULFONAMIDE
N(12DIHYDROACENAPHTHYLEN5YL)N(4METHOXY3NITROBENZYL)METHANESULFONAMIDE
ZINC000001060868
ZINC01060868
ZINC1060868
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