Vitas-M small molecule compound
3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK463537
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1cccc(c1)[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 C16H18N2O5 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5/c19-15(17-11-2-1-3-12(8-11)18(22)23)13-9-4-6-10(7-5-9)14(13)16(20)21/h1-3,8-10,13-14H,4-7H2,(H,17,19)(H,20,21)InChIKey
ZQNRZKWNLULXKS-UHFFFAOYSA-NSynonyms
2((3nitrophenyl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3nitrophenyl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3NITROPHENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H18N2O5c1915(171121312(811)18(22)23)1394610(759)14(13)16(20)21h138101314H47H2(H1719)(H2021)
MFCD06067561
O=C(C1C2CCC(C1C(=O)O)CC2)Nc1cccc(c1)(N+)(=O)(O)
ZINC000017054514
ZINC000017054523
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