Vitas-M small molecule compound
(2E)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-3-(2-fluorophenyl)prop-2-enamide
Catalog ID
STL430244
SMILES CCC(c1ccc2c(c1)OCCCO2)NC(=O)/C=C/c1ccccc1F
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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 C21H22FNO3 MW 355.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FNO3/c1-2-18(16-8-10-19-20(14-16)26-13-5-12-25-19)23-21(24)11-9-15-6-3-4-7-17(15)22/h3-4,6-11,14,18H,2,5,12-13H2,1H3,(H,23,24)/b11-9+InChIKey
ALGYCKCDEMYFBE-PKNBQFBNSA-NSynonyms
(2E)N(1(34dihydro2H15benzodioxepin7yl)propyl)3(2fluorophenyl)prop2enamide
(E)N(1(34dihydro2H15benzodioxepin7yl)propyl)3(2fluorophenyl)prop2enamide
CCC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C=CC3=CC=CC=C3F
CCC(c1ccc2c(c1)OCCCO2)NC(=O)C=Cc1ccccc1F
InChI=1SC21H22FNO3c1218(168101920(1416)26135122519)2321(24)11915634717(15)22h346111418H251213H21H3(H2324)b119+
MFCD27220855
ZINC000064986953
ZINC000064986954
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