Vitas-M small molecule compound

3,6,6-trimethyl-4-oxo-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

Catalog ID
STL238676
SMILES O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCC(F)(F)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 C14H16F3NO3 MW 303.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F3NO3/c1-7-10-8(19)4-13(2,3)5-9(10)21-11(7)12(20)18-6-14(15,16)17/h4-6H2,1-3H3,(H,18,20)
InChIKey
XIPNQVOYXFYNHJ-UHFFFAOYSA-N
Synonyms
912908-92-0
366trimethyl4oxoN(222trifluoroethyl)4567tetrahydro1benzofuran2carboxamide
366trimethyl4oxoN(222trifluoroethyl)4567tetrahydrobenzofuran2carboxamide
366trimethyl4oxoN(222trifluoroethyl)57dihydro1benzofuran2carboxamide
912908920
CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NCC(F)(F)F
InChI=1SC14H16F3NO3c17108(19)413(23)59(10)2111(7)12(20)18614(1516)17h46H213H3(H1820)
MFCD09846619
ZINC000009576166
ZINC09576166
ZINC9576166

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.