Vitas-M small molecule compound
8-chloro-2,3-dimethyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Catalog ID
STK667162
SMILES OC(=O)C1C(=O)N(C)C2(CC1c1cc(Cl)ccc1O2)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 C14H14ClNO4 MW 295.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClNO4/c1-14-6-9(11(13(18)19)12(17)16(14)2)8-5-7(15)3-4-10(8)20-14/h3-5,9,11H,6H2,1-2H3,(H,18,19)InChIKey
LHVGYZPFIBQOCZ-UHFFFAOYSA-NSynonyms
8chloro23dimethyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxylicacid
CC12CC(C(C(=O)N1C)C(=O)O)C3=C(O2)C=CC(=C3)Cl
InChI=1SC14H14ClNO4c11469(11(13(18)19)12(17)16(14)2)857(15)3410(8)2014h35911H6H212H3(H1819)
MFCD03714659
ZINC000100214151
ZINC000135892391
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