Vitas-M small molecule compound

N-(4-bromo-3-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Catalog ID
STL430108
SMILES O=C(c1cc2OCCCOc2cc1C)Nc1ccc(c(c1)C)Br

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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 C18H18BrNO3 MW 376.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO3/c1-11-9-16-17(23-7-3-6-22-16)10-14(11)18(21)20-13-4-5-15(19)12(2)8-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)
InChIKey
DFYZATNFKUDOOB-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)Br)C)OCCCO2
InChI=1SC18H18BrNO3c11191617(237362216)1014(11)18(21)20134515(19)12(2)813h45810H367H212H3(H2021)
MFCD27221138
N(4bromo3methylphenyl)8methyl34dihydro2H15benzodioxepine7carboxamide
ZINC000046077891
ZINC46077891

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Available files

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