Vitas-M small molecule compound
8-methyl-N-[4-(propan-2-yloxy)benzyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL430128
SMILES CC(Oc1ccc(cc1)CNC(=O)c1cc2OCCCOc2cc1C)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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-14(2)26-17-7-5-16(6-8-17)13-22-21(23)18-12-20-19(11-15(18)3)24-9-4-10-25-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,23)InChIKey
YAIWDSSSBVHVNX-UHFFFAOYSA-NSynonyms
8methylN((4propan2yloxyphenyl)methyl)34dihydro2H15benzodioxepine7carboxamide
8methylN(4(propan2yloxy)benzyl)34dihydro2H15benzodioxepine7carboxamide
CC1=CC2=C(C=C1C(=O)NCC3=CC=C(C=C3)OC(C)C)OCCCO2
InChI=1SC21H25NO4c114(2)26177516(6817)132221(23)18122019(1115(18)3)2494102520h58111214H491013H213H3(H2223)
MFCD27220752
ZINC000046077727
ZINC46077727
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