Vitas-M small molecule compound

[3-amino-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STL005627
SMILES O=C(c1sc2c(c1N)c(cc(n2)c1ccc2c(c1)OCO2)C(F)(F)F)N1CCc2c(C1)cccc2

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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 C25H18F3N3O3S MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3N3O3S/c26-25(27,28)16-10-17(14-5-6-18-19(9-14)34-12-33-18)30-23-20(16)21(29)22(35-23)24(32)31-8-7-13-3-1-2-4-15(13)11-31/h1-6,9-10H,7-8,11-12,29H2
InChIKey
FOAHQQQSBUWVHE-UHFFFAOYSA-N
Synonyms
625377-32-4
(3AMINO6(13BENZODIOXOL5YL)4(TRIFLUOROMETHYL)THIENO(23B)PYRIDIN2YL)(34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(3AMINO6(13BENZODIOXOL5YL)4(TRIFLUOROMETHYL)THIENO(23B)PYRIDIN2YL)(34DIHYDRO2(1H)ISOQUINOLINYL)METHANONE
(3amino6(13benzodioxol5yl)4(trifluoromethyl)thieno(23b)pyridin2yl)(34dihydroisoquinolin2(1H)yl)methanone
(3amino6(benzo(d)(13)dioxol5yl)4(trifluoromethyl)thieno(23b)pyridin2yl)(34dihydroisoquinolin2(1H)yl)methanone
6(13BENZODIOXOL5YL)2(34DIHYDRO2(1H)ISOQUINOLINYLCARBONYL)4(TRIFLUOROMETHYL)THIENO(23B)PYRIDIN3AMINE
625377324
C1CN(CC2=CC=CC=C21)C(=O)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC6=C(C=C5)OCO6)N
InChI=1SC25H18F3N3O3Sc2625(2728)161017(14561819(914)34123318)302320(16)21(29)22(3523)24(32)318713312415(13)1131h16910H78111229H2
MFCD03697847
ZINC000000804138
ZINC00804138
ZINC804138

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Available files

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