Vitas-M small molecule compound

3-cyclopentyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404657
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)[N+](=O)[O-])C)C(=C(N2)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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-13-9-10-16(12-19(13)28(32)33)22-21(26(31)35-17-7-5-6-8-17)15(3)27-18-11-14(2)20(25(30)34-4)24(29)23(18)22/h9-10,12,14,17,20,22,27H,5-8,11H2,1-4H3
InChIKey
PBIHWTVEZMXLCL-UHFFFAOYSA-N
Synonyms
1005178-92-6
1005178926
3cyclopentyl6methyl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC(=C(C=C4)C)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)(N+)(=O)(O))C)C(=C(N2)C)C(=O)OC1CCCC1
InChI=1SC26H30N2O7c11391016(1219(13)28(32)33)2221(26(31)3517756817)15(3)27181114(2)20(25(30)344)24(29)23(18)22h910121417202227H5811H214H3
MFCD05031576
ZINC000004763962
ZINC000004763989

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Available files

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