Vitas-M small molecule compound
14-[4-(difluoromethoxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK596871
SMILES COc1cc(ccc1OC(F)F)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1
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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 C28H27F2NO5 MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F2NO5/c1-28(2)12-20-26(21(32)13-28)18(15-4-5-22(36-27(29)30)23(8-15)33-3)10-19-17-11-25-24(34-14-35-25)9-16(17)6-7-31(19)20/h4-5,8-11,18,27H,6-7,12-14H2,1-3H3InChIKey
MYEFLXATSHGESM-UHFFFAOYSA-NSynonyms
879478-53-214(4(difluoromethoxy)3methoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(4567)isoquinolino(21a)quinolin1one
14(4(difluoromethoxy)3methoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(67)isoquino(21a)quinolin1one
879478532
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCO5)C6=CC(=C(C=C6)OC(F)F)OC)C(=O)C1)C
InChI=1SC28H27F2NO5c128(2)122026(21(32)1328)18(154522(3627(29)30)23(815)333)101917112524(34143525)916(17)6731(19)20h458111827H671214H213H3
MFCD07638195
ZINC000008972147
ZINC000013576487
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