Vitas-M small molecule compound
3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Catalog ID
STL388675
SMILES OC(=O)C1C(=O)N(CCC2=CCCCC2)C2(CC1c1ccccc1O2)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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-21-13-16(15-9-5-6-10-17(15)26-21)18(20(24)25)19(23)22(21)12-11-14-7-3-2-4-8-14/h5-7,9-10,16,18H,2-4,8,11-13H2,1H3,(H,24,25)InChIKey
ZVPCCAASSKLGPC-UHFFFAOYSA-NSynonyms
3(2(cyclohex1en1yl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxylicacid
CC12CC(C(C(=O)N1CCC3=CCCCC3)C(=O)O)C4=CC=CC=C4O2
InChI=1SC21H25NO4c1211316(159561017(15)2621)18(20(24)25)19(23)22(21)1211147324814h579101618H2481113H21H3(H2425)
MFCD07397849
ZINC000004943239
ZINC000013567009
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