Vitas-M small molecule compound
N-(4-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL019310
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1ccc(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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c19-16(17-12-3-5-13(6-4-12)18(20)21)11-2-7-14-15(10-11)23-9-1-8-22-14/h2-7,10H,1,8-9H2,(H,17,19)InChIKey
SQBITNZTVHJHOZ-UHFFFAOYSA-NSynonyms
2H3H4HBENZO(B)14DIOXEPIN7YLN(4NITROPHENYL)CARBOXAMIDE
C1COC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O))OC1
InChI=1SC16H14N2O5c1916(17123513(6412)18(20)21)11271415(1011)239182214h2710H189H2(H1719)
MFCD06438860
N(4nitrophenyl)34dihydro2H15benzodioxepine7carboxamide
O=C(c1ccc2c(c1)OCCCO2)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000004540159
ZINC04540159
ZINC4540159
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