Vitas-M small molecule compound
3-[(2-methoxy-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL015632
SMILES COc1ccc(cc1NC(=O)C1C2C=CC(C1C(=O)O)C2)[N+](=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 C16H16N2O6 MW 332.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6/c1-24-12-5-4-10(18(22)23)7-11(12)17-15(19)13-8-2-3-9(6-8)14(13)16(20)21/h2-5,7-9,13-14H,6H2,1H3,(H,17,19)(H,20,21)InChIKey
AQJMIPJCUWITQP-UHFFFAOYSA-NSynonyms
1212402-33-91212402339
2((2METHOXY5NITROPHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(((2METHOXY5NITROPHENYL)AMINO)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((2methoxy5nitrophenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C2C3CC(C2C(=O)O)C=C3
COc1ccc(cc1NC(=O)C1C2C=CC(C1C(=O)O)C2)(N+)(=O)(O)
InChI=1SC16H16N2O6c124125410(18(22)23)711(12)1715(19)138239(68)14(13)16(20)21h25791314H6H21H3(H1719)(H2021)
MFCD00985430
ZINC000100481923
ZINC000245309084
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