Vitas-M small molecule compound
8-methoxy-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL419753
SMILES COc1cc2OCCCOc2cc1C(=O)Nc1ccc(cc1)C(C)C
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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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-13(2)14-5-7-15(8-6-14)21-20(22)16-11-18-19(12-17(16)23-3)25-10-4-9-24-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22)InChIKey
QNNLPYSIWDQCIN-UHFFFAOYSA-NSynonyms
7methoxyN(4propan2ylphenyl)34dihydro2H15benzodioxepine8carboxamide
8methoxyN(4(propan2yl)phenyl)34dihydro2H15benzodioxepine7carboxamide
CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2OC)OCCCO3
InChI=1SC20H23NO4c113(2)145715(8614)2120(22)16111819(1217(16)233)2510492418h581113H4910H213H3(H2122)
MFCD27221158
ZINC000046077924
ZINC46077924
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