Vitas-M small molecule compound

2-(propan-2-yloxy)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403096
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCCOC(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 C30H34N2O9 MW 566.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O9/c1-16(2)40-10-11-41-30(35)26-17(3)31-21-12-18(20-8-6-7-9-24(20)38-4)14-23(33)28(21)27(26)19-13-22(32(36)37)29(34)25(15-19)39-5/h6-9,13,15-16,18,27,31,34H,10-12,14H2,1-5H3
InChIKey
CBUKRHRSYAIWNM-UHFFFAOYSA-N
Synonyms

2(propan2yloxy)ethyl4(4hydroxy3methoxy5nitrophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(4hydroxy3methoxy5nitrophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCCOC(C)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCCOC(C)C
InChI=1SC30H34N2O9c116(2)4010114130(35)2617(3)31211218(20867924(20)384)1423(33)28(21)27(26)191322(32(36)37)29(34)25(1519)395h6913151618273134H101214H215H3
MFCD03371083
ZINC000097939749
ZINC000097939752

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Available files

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