Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL430134
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1ccc(c(c1)Cl)F
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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 C16H13ClFNO3 MW 321.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFNO3/c17-12-9-11(3-4-13(12)18)19-16(20)10-2-5-14-15(8-10)22-7-1-6-21-14/h2-5,8-9H,1,6-7H2,(H,19,20)InChIKey
OGTZULUPKMZENM-UHFFFAOYSA-NSynonyms
C1COC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)OC1
InChI=1SC16H13ClFNO3c1712911(3413(12)18)1916(20)10251415(810)227162114h2589H167H2(H1920)
MFCD27221104
N(3chloro4fluorophenyl)34dihydro2H15benzodioxepine7carboxamide
ZINC000010489976
ZINC10489976
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