Vitas-M small molecule compound

cyclopentyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372549
SMILES COc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1

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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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-15-21(24(28)30-17-9-5-6-10-17)22(16-8-7-11-18(12-16)29-4)23-19(26-15)13-25(2,3)14-20(23)27/h7-8,11-12,17,22,26H,5-6,9-10,13-14H2,1-4H3
InChIKey
NBLVHPGRENVLTN-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C(=O)OC4CCCC4
cyclopentyl4(3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H31NO4c11521(24(28)30179561017)22(16871118(1216)294)2319(2615)1325(23)1420(23)27h781112172226H569101314H214H3
MFCD00753092
ZINC000019535803
ZINC000019535805

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Available files

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