Vitas-M small molecule compound

ethyl 4-{[(6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)carbonyl]amino}benzoate

Catalog ID
STL375771
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)C1C3CCC(C1C(N2)c1ccccc1)C3

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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 C30H30N2O3 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O3/c1-2-35-30(34)19-10-13-23(14-11-19)31-29(33)22-12-15-25-24(17-22)26-20-8-9-21(16-20)27(26)28(32-25)18-6-4-3-5-7-18/h3-7,10-15,17,20-21,26-28,32H,2,8-9,16H2,1H3,(H,31,33)
InChIKey
UOMVYJAYYHWFEK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC(C4C3C5CCC4C5)C6=CC=CC=C6
ethyl4(((6phenyl566a7891010aoctahydro710methanophenanthridin2yl)carbonyl)amino)benzoate
InChI=1SC30H30N2O3c123530(34)19101323(141119)3129(33)2212152524(1722)26208921(1620)27(26)28(3225)186435718h371015172021262832H28916H21H3(H3133)
MFCD05150139
ZINC000100857436
ZINC000245238562

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Available files

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