Vitas-M small molecule compound

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

Catalog ID
STL403269
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(nn1C)C)C(=O)CC(C2)(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 C19H25N3O3 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3/c1-10-7-13(22(5)21-10)17-15(18(24)25-6)11(2)20-12-8-19(3,4)9-14(23)16(12)17/h7,17,20H,8-9H2,1-6H3
InChIKey
OMVKRBVZEQGMQR-UHFFFAOYSA-N
Synonyms
1006355-52-7
1006355527
CC1=NN(C(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)C
InChI=1SC19H25N3O3c110713(22(5)2110)1715(18(24)256)11(2)2012819(34)914(23)16(12)17h71720H89H216H3
methyl4(13dimethyl1Hpyrazol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(25dimethylpyrazol3yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD08557756
ZINC000020606674
ZINC000020606675

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Available files

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