Vitas-M small molecule compound

1-[3-(4-methoxyphenyl)-6,6-dimethyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl]ethanone

Catalog ID
STK995812
SMILES COc1ccc(cc1)C1C2COC(CC2=NN1C(=O)C)(C)C

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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 C17H22N2O3 MW 302.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O3/c1-11(20)19-16(12-5-7-13(21-4)8-6-12)14-10-22-17(2,3)9-15(14)18-19/h5-8,14,16H,9-10H2,1-4H3
InChIKey
DEYWYIBQEVBCGD-UHFFFAOYSA-N
Synonyms
350993-64-5
1(3(4METHOXYPHENYL)66DIMETHYL33A47TETRAHYDROPYRANO(43C)PYRAZOL2YL)ETHANONE
1(3(4methoxyphenyl)66dimethyl3a467tetrahydropyrano(43c)pyrazol2(3H)yl)ethanone
350993645
CC(=O)N1C(C2COC(CC2=N1)(C)C)C3=CC=C(C=C3)OC
InChI=1SC17H22N2O3c111(20)1916(125713(214)8612)14102217(23)915(14)1819h581416H910H214H3
MFCD01466059
ZINC000000379355
ZINC000000379359

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Available files

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