Vitas-M small molecule compound
2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
Catalog ID
STL421273
SMILES CCC1(CC)OC(Nc2c1cccc2)c1ccc(o1)c1ccc(cc1[N+](=O)[O-])Cl
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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 C22H21ClN2O4 MW 412.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O4/c1-3-22(4-2)16-7-5-6-8-17(16)24-21(29-22)20-12-11-19(28-20)15-10-9-14(23)13-18(15)25(26)27/h5-13,21,24H,3-4H2,1-2H3InChIKey
RABVCFLKINLDAN-UHFFFAOYSA-NSynonyms
2(5(4chloro2nitrophenyl)furan2yl)44diethyl12dihydro31benzoxazine
2(5(4chloro2nitrophenyl)furan2yl)44diethyl14dihydro2H31benzoxazine
CCC1(C2=CC=CC=C2NC(O1)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))CC
CCC1(CC)OC(Nc2c1cccc2)c1ccc(o1)c1ccc(cc1(N+)(=O)(O))Cl
InChI=1SC22H21ClN2O4c1322(42)16756817(16)2421(2922)20121119(2820)1510914(23)1318(15)25(26)27h5132124H34H212H3
MFCD30707464
ZINC000252498366
ZINC000252498367
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