Vitas-M small molecule compound

7-bromo-N-(2,5-dimethoxyphenyl)-1-benzoxepine-4-carboxamide

Catalog ID
STK865042
SMILES COc1ccc(cc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1)OC

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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 C19H16BrNO4 MW 402.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrNO4/c1-23-15-4-6-18(24-2)16(11-15)21-19(22)12-7-8-25-17-5-3-14(20)10-13(17)9-12/h3-11H,1-2H3,(H,21,22)
InChIKey
GYRLPUCVLGQWEA-UHFFFAOYSA-N
Synonyms
950426-82-1
7bromoN(25dimethoxyphenyl)1benzoxepine4carboxamide
7bromoN(25dimethoxyphenyl)benzo(b)oxepine4carboxamide
950426821
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2
InChI=1SC19H16BrNO4c123154618(242)16(1115)2119(22)127825175314(20)1013(17)912h311H12H3(H2122)
MFCD10082158
N(25DIMETHOXYPHENYL)(7BROMOBENZO(B)OXEPIN4YL)CARBOXAMIDE
ZINC000012274595
ZINC12274595

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.