Vitas-M small molecule compound

propan-2-yl 2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK085895
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(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 C26H29NO3 MW 403.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO3/c1-15(2)30-25(29)22-16(3)27-20-13-26(4,5)14-21(28)24(20)23(22)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,15,23,27H,13-14H2,1-5H3
InChIKey
UZVQHPPOXFEESS-UHFFFAOYSA-N
Synonyms

CC(OC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC4=CC=CC=C43)C(=O)OC(C)C
InChI=1SC26H29NO3c115(2)3025(29)2216(3)27201326(45)1421(28)24(20)23(22)1912810179671118(17)19h612152327H1314H215H3
MFCD00770897
propan2yl277trimethyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
propan2yl277trimethyl4naphthalen1yl5oxo1468tetrahydroquinoline3carboxylate
STK085895
ZINC000004624824
ZINC000019867350

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Available files

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