Vitas-M small molecule compound
methyl 4-{(Z)-[(1-methyl-2-oxocyclohexyl)(oxido)-lambda~5~-azanylidene]methyl}benzoate
Catalog ID
STK834296
SMILES COC(=O)c1ccc(cc1)/C=[N+](/C1(C)CCCCC1=O)\[O-]
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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 C16H19NO4 MW 289.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO4/c1-16(10-4-3-5-14(16)18)17(20)11-12-6-8-13(9-7-12)15(19)21-2/h6-9,11H,3-5,10H2,1-2H3/b17-11-InChIKey
ICUPXUXWDCITHW-BOPFTXTBSA-NSynonyms
370872-13-2(Z)N(4(methoxycarbonyl)benzylidene)1methyl2oxocyclohexanamineoxide
1(4METHOXYCARBONYLPHENYL)N(1METHYL2OXOCYCLOHEXYL)METHANIMINEOXIDE
370872132
CC1(CCCCC1=O)(N+)(=CC2=CC=C(C=C2)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C=(N+)(C1(C)CCCCC1=O)(O)
InChI=1SC16H19NO4c116(1043514(16)18)17(20)11126813(9712)15(19)212h6911H3510H212H3b1711
methyl4((Z)((1methyl2oxocyclohexyl)(oxido)lambda~5~azanylidene)methyl)benzoate
METHYL4((Z)((1METHYL2OXOCYCLOHEXYL)(OXIDO)LAMBDA5AZANYLIDENE)METHYL)BENZOATE
MFCD01550262
ZINC000002193638
ZINC000002193641
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