Vitas-M small molecule compound
8-methoxy-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL419747
SMILES COc1cc2OCCCOc2cc1C(=O)Nc1cccc(c1)C(F)(F)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 C18H16F3NO4 MW 367.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3NO4/c1-24-14-10-16-15(25-6-3-7-26-16)9-13(14)17(23)22-12-5-2-4-11(8-12)18(19,20)21/h2,4-5,8-10H,3,6-7H2,1H3,(H,22,23)InChIKey
YIZYBEIRWUXUBD-UHFFFAOYSA-NSynonyms
7methoxyN(3(trifluoromethyl)phenyl)34dihydro2H15benzodioxepine8carboxamide
8methoxyN(3(trifluoromethyl)phenyl)34dihydro2H15benzodioxepine7carboxamide
COC1=CC2=C(C=C1C(=O)NC3=CC=CC(=C3)C(F)(F)F)OCCCO2
InChI=1SC18H16F3NO4c12414101615(256372616)913(14)17(23)221252411(812)18(1920)21h245810H367H21H3(H2223)
MFCD27220839
ZINC000046077847
ZINC46077847
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