Vitas-M small molecule compound
16-[4-(difluoromethoxy)phenyl]-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK601264
SMILES FC(Oc1ccc(cc1)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1)F
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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 C27H25F2NO4 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F2NO4/c28-27(29)34-18-7-5-16(6-8-18)20-14-22-19-15-25-24(32-11-2-12-33-25)13-17(19)9-10-30(22)21-3-1-4-23(31)26(20)21/h5-8,13-15,20,27H,1-4,9-12H2InChIKey
MRYVXYPGOUGKAJ-UHFFFAOYSA-NSynonyms
904264-99-916(4(difluoromethoxy)phenyl)23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4(difluoromethoxy)phenyl)346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
904264999
C1CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=C(C=C6)OC(F)F)C(=O)C1
InChI=1SC27H25F2NO4c2827(29)34187516(6818)20142219152524(32112123325)1317(19)91030(22)2131423(31)26(20)21h5813152027H14912H2
MFCD07641350
ZINC000009129862
ZINC000009129863
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