Vitas-M small molecule compound
N-(4-butylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL430099
SMILES CCCCc1ccc(cc1)NC(=O)c1cc2OCCCOc2cc1C
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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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-3-4-6-16-7-9-17(10-8-16)22-21(23)18-14-20-19(13-15(18)2)24-11-5-12-25-20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,23)InChIKey
TWXJPFINWPKKCS-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2C)OCCCO3
InChI=1SC21H25NO3c1346167917(10816)2221(23)18142019(1315(18)2)24115122520h7101314H361112H212H3(H2223)
MFCD27221131
N(4butylphenyl)8methyl34dihydro2H15benzodioxepine7carboxamide
ZINC000065315030
ZINC65315030
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