Vitas-M small molecule compound
2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoic acid
Catalog ID
STL019316
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1ccccc1C(=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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c19-16(18-13-5-2-1-4-12(13)17(20)21)11-6-7-14-15(10-11)23-9-3-8-22-14/h1-2,4-7,10H,3,8-9H2,(H,18,19)(H,20,21)InChIKey
CSZJWHJKYWIWHJ-UHFFFAOYSA-NSynonyms
2((34dihydro2H15benzodioxepin7ylcarbonyl)amino)benzoicacid
2(2H3H4HBENZO(B)14DIOXEPIN7YLCARBONYLAMINO)BENZOICACID
2(34dihydro2H15benzodioxepine7carbonylamino)benzoicacid
C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC1
InChI=1SC17H15NO5c1916(1813521412(13)17(20)21)11671415(1011)239382214h124710H389H2(H1819)(H2021)
MFCD09760257
ZINC000011689742
ZINC11689742
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