Vitas-M small molecule compound
10-butyl-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Catalog ID
STK768359
SMILES CCCCN1C(=O)c2c(Oc3ccc(cc3)C)cc(cc2Oc2c1cccc2)[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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-3-4-13-25-19-7-5-6-8-20(19)31-22-15-17(26(28)29)14-21(23(22)24(25)27)30-18-11-9-16(2)10-12-18/h5-12,14-15H,3-4,13H2,1-2H3InChIKey
LHPFGKLNGNDAHU-UHFFFAOYSA-NSynonyms
10butyl1(4methylphenoxy)3nitrodibenzo(bf)(14)oxazepin11(10H)one
10BUTYL1(4METHYLPHENOXY)3NITRODIBENZO(BF)14OXAZEPIN11ONE
5BUTYL7(4METHYLPHENOXY)9NITROBENZO(B)(14)BENZOXAZEPIN6ONE
CCCCN1C(=O)c2c(Oc3ccc(cc3)C)cc(cc2Oc2c1cccc2)(N+)(=O)(O)
CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)(N+)(=O)(O))OC4=CC=C(C=C4)C
InChI=1SC24H22N2O5c134132519756820(19)31221517(26(28)29)1421(23(22)24(25)27)301811916(2)101218h5121415H3413H212H3
MFCD03133504
ZINC000003619096
ZINC03619096
ZINC3619096
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