Vitas-M small molecule compound
3-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK897685
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])O2
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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 C18H21N3O6 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6/c22-17(15-13-5-6-14(27-13)16(15)18(23)24)20-9-7-19(8-10-20)11-1-3-12(4-2-11)21(25)26/h1-4,13-16H,5-10H2,(H,23,24)InChIKey
BFAZOQCDOHPRFK-UHFFFAOYSA-NSynonyms
2(4(4nitrophenyl)piperazine1carbonyl)7oxabicyclo(221)heptane3carboxylicacid
3((4(4nitrophenyl)piperazin1yl)carbonyl)7oxabicyclo(221)heptane2carboxylicacid
C1CC2C(C(C1O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)O
InChI=1SC18H21N3O6c2217(15135614(2713)16(15)18(23)24)209719(81020)111312(4211)21(25)26h141316H510H2(H2324)
MFCD06065935
OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))O2
ZINC000226977952
ZINC000245254623
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