Vitas-M small molecule compound
N-(3-acetylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL120595
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1cccc(c1)C(=O)C
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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 C18H17NO4 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4/c1-12(20)13-4-2-5-15(10-13)19-18(21)14-6-7-16-17(11-14)23-9-3-8-22-16/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)InChIKey
ITQFDHUBZHTPMC-UHFFFAOYSA-NSynonyms
2H3H4HBENZO(B)14DIOXEPIN7YLN(3ACETYLPHENYL)CARBOXAMIDE
CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3
InChI=1SC18H17NO4c112(20)1342515(1013)1918(21)14671617(1114)239382216h2471011H389H21H3(H1921)
MFCD07429088
N(3acetylphenyl)34dihydro2H15benzodioxepine7carboxamide
ZINC000016789817
ZINC16789817
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