Vitas-M small molecule compound

ethyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL174856
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccc(cc3)Br)c(cc1C)C)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 C30H34BrNO4 MW 552.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34BrNO4/c1-7-35-29(34)26-19(4)32-24-14-30(5,6)15-25(33)28(24)27(26)23-13-20(17(2)12-18(23)3)16-36-22-10-8-21(31)9-11-22/h8-13,27,32H,7,14-16H2,1-6H3
InChIKey
STOJCJHOBYLLOK-UHFFFAOYSA-N
Synonyms
438196-04-4
438196044
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=C(C=C4)Br)C(=O)CC(C2)(C)C)C
ethyl4(5((4bromophenoxy)methyl)24dimethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((4bromophenoxy)methyl)24dimethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC30H34BrNO4c173529(34)2619(4)32241430(56)1525(33)28(24)27(26)231320(17(2)1218(23)3)16362210821(31)91122h8132732H71416H216H3
MFCD03073859
ZINC000002777430
ZINC000002777431

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Available files

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