Vitas-M small molecule compound

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

Catalog ID
STK943858
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1c(C)nn(c1C)c1ccccc1)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 C26H31N3O3 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O3/c1-7-32-25(31)22-15(2)27-19-13-26(5,6)14-20(30)23(19)24(22)21-16(3)28-29(17(21)4)18-11-9-8-10-12-18/h8-12,24,27H,7,13-14H2,1-6H3
InChIKey
XFJQDHDSKSAGME-UHFFFAOYSA-N
Synonyms
514816-36-5
514816365
CCOC(=O)C1=C(NC2=C(C1C3=C(N(N=C3C)C4=CC=CC=C4)C)C(=O)CC(C2)(C)C)C
ethyl4(35dimethyl1phenyl1Hpyrazol4yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(35dimethyl1phenylpyrazol4yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H31N3O3c173225(31)2215(2)27191326(56)1420(30)23(19)24(22)2116(3)2829(17(21)4)181198101218h8122427H71314H216H3
MFCD02175188
ZINC000002759230
ZINC000002759231

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Available files

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