Vitas-M small molecule compound
methyl (6E)-8-benzyl-2-methyl-4-oxo-3,4,5,8,9,10-hexahydropyrimido[4,5-d]azocine-6-carboxylate
Catalog ID
STL437711
SMILES COC(=O)C1=CN(CCc2c(C1)c(=O)[nH]c(n2)C)Cc1ccccc1
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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 C19H21N3O3 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3/c1-13-20-17-8-9-22(11-14-6-4-3-5-7-14)12-15(19(24)25-2)10-16(17)18(23)21-13/h3-7,12H,8-11H2,1-2H3,(H,20,21,23)/b15-12+InChIKey
SXRIUFNXDMEKIG-NTCAYCPXSA-NSynonyms
CC1=NC(=O)C2=C(N1)CCN(C=C(C2)C(=O)OC)CC3=CC=CC=C3
COC(=O)C1=CN(CCc2c(C1)c(=O)(nH)c(n2)C)Cc1ccccc1
InChI=1SC19H21N3O3c11320178922(11146435714)1215(19(24)252)1016(17)18(23)2113h3712H811H212H3(H202123)b1512+
methyl(6E)8benzyl2methyl4oxo15910tetrahydropyrimido(45d)azocine6carboxylate
methyl(6E)8benzyl2methyl4oxo3458910hexahydropyrimido(45d)azocine6carboxylate
MFCD09992183
ZINC000025185053
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