Vitas-M small molecule compound

[3-amino-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](1,3-benzodioxol-5-yl)methanone

Catalog ID
STL001414
SMILES O=C(c1sc2c(c1N)c(cc(n2)C12CC3CC(C2)CC(C1)C3)C(F)(F)F)c1ccc2c(c1)OCO2

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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 C26H23F3N2O3S MW 500.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23F3N2O3S/c27-26(28,29)16-7-19(25-8-12-3-13(9-25)5-14(4-12)10-25)31-24-20(16)21(30)23(35-24)22(32)15-1-2-17-18(6-15)34-11-33-17/h1-2,6-7,12-14H,3-5,8-11,30H2
InChIKey
PFCKUQBDVNLQJE-UHFFFAOYSA-N
Synonyms
488745-28-4
(3amino6(tricyclo(3311~37~)dec1yl)4(trifluoromethyl)thieno(23b)pyridin2yl)(13benzodioxol5yl)methanone
(6((3r5r7r)adamantan1yl)3amino4(trifluoromethyl)thieno(23b)pyridin2yl)(benzo(d)(13)dioxol5yl)methanone
(6(1ADAMANTYL)3AMINO4(TRIFLUOROMETHYL)THIENO(23B)PYRIDIN2YL)(13BENZODIOXOL5YL)METHANONE
488745284
C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C(=C(S5)C(=O)C6=CC7=C(C=C6)OCO7)N
InChI=1SC26H23F3N2O3Sc2726(2829)16719(25812313(925)514(412)1025)312420(16)21(30)23(3524)22(32)15121718(615)34113317h12671214H3581130H2
ZINC000008451165
ZINC08451165
ZINC8451165

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Available files

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