Vitas-M small molecule compound

methyl 4-(1-ethyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL398899
SMILES CCn1ncc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C19H25N3O3 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3/c1-6-22-10-12(9-20-22)16-15(18(24)25-5)11(2)21-13-7-19(3,4)8-14(23)17(13)16/h9-10,16,21H,6-8H2,1-5H3
InChIKey
RMADKVWDSJZMPE-UHFFFAOYSA-N
Synonyms
1006326-04-0
1006326040
CCN1C=C(C=N1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C
InChI=1SC19H25N3O3c16221012(92022)1615(18(24)255)11(2)2113719(34)814(23)17(13)16h9101621H68H215H3
methyl4(1ethyl1Hpyrazol4yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(1ethylpyrazol4yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD08557370
ZINC000020606627
ZINC000020606628

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Available files

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