Vitas-M small molecule compound

13-[4-(difluoromethoxy)-3-ethoxyphenyl]-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one

Catalog ID
STK587260
SMILES CCOc1cc(ccc1OC(F)F)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC

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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 C30H33F2NO5 MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33F2NO5/c1-6-37-27-12-17(7-8-24(27)38-29(31)32)20-13-21-19-14-26(36-5)25(35-4)11-18(19)9-10-33(21)22-15-30(2,3)16-23(34)28(20)22/h7-8,11-14,20,29H,6,9-10,15-16H2,1-5H3
InChIKey
BFHGTAUYSITZLU-UHFFFAOYSA-N
Synonyms
898916-88-6
13(4(difluoromethoxy)3ethoxyphenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(4(difluoromethoxy)3ethoxyphenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
13(4(difluoromethoxy)3ethoxyphenyl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
898916886
CCOC1=C(C=CC(=C1)C2C=C3C4=CC(=C(C=C4CCN3C5=C2C(=O)CC(C5)(C)C)OC)OC)OC(F)F
InChI=1SC30H33F2NO5c1637271217(7824(27)3829(31)32)201321191426(365)25(354)1118(19)91033(21)221530(23)1623(34)28(20)22h7811142029H69101516H215H3
MFCD07639637
ZINC000009129090
ZINC000013591264

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Available files

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