Vitas-M small molecule compound
3-[(4-methoxy-2-methylphenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK474744
SMILES COc1ccc(c(c1)C)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C18H23NO4 MW 317.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO4/c1-10-9-13(23-2)7-8-14(10)19-17(20)15-11-3-5-12(6-4-11)16(15)18(21)22/h7-9,11-12,15-16H,3-6H2,1-2H3,(H,19,20)(H,21,22)InChIKey
KXMGBHCNYGYCMZ-UHFFFAOYSA-NSynonyms
2((4METHOXY2METHYLPHENYL)CARBAMOYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3((4methoxy2methylphenyl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(4METHOXY2METHYLPHENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CC1=C(C=CC(=C1)OC)NC(=O)C2C3CCC(C2C(=O)O)CC3
InChI=1SC18H23NO4c110913(232)7814(10)1917(20)15113512(6411)16(15)18(21)22h7911121516H36H212H3(H1920)(H2122)
MFCD06064374
ZINC000006698831
ZINC000006698834
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