Vitas-M small molecule compound
3-{[4-(propan-2-yl)phenyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK449533
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1ccc(cc1)C(C)C
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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 C19H23NO3 MW 313.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO3/c1-11(2)12-7-9-15(10-8-12)20-18(21)16-13-3-5-14(6-4-13)17(16)19(22)23/h3,5,7-11,13-14,16-17H,4,6H2,1-2H3,(H,20,21)(H,22,23)InChIKey
ASPCYJVMDPAVEH-UHFFFAOYSA-NSynonyms
2((4PROPAN2YLPHENYL)CARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3((4(propan2yl)phenyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3((4ISOPROPYLANILINO)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
3(N(4(METHYLETHYL)PHENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CC(C)C1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C=C3
InChI=1SC19H23NO3c111(2)127915(10812)2018(21)16133514(6413)17(16)19(22)23h3571113141617H46H212H3(H2021)(H2223)
MFCD03467399
ZINC000102259291
ZINC000239274830
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