Vitas-M small molecule compound
3-[(4-phenylbutan-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK897709
SMILES CC(NC(=O)C1C2CCC(C1C(=O)O)CC2)CCc1ccccc1
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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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-13(7-8-14-5-3-2-4-6-14)21-19(22)17-15-9-11-16(12-10-15)18(17)20(23)24/h2-6,13,15-18H,7-12H2,1H3,(H,21,22)(H,23,24)InChIKey
PQDZNBIUIOMHAV-UHFFFAOYSA-NSynonyms
2(4phenylbutan2ylcarbamoyl)bicyclo(222)octane3carboxylicacid
3((4phenylbutan2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
CC(CCC1=CC=CC=C1)NC(=O)C2C3CCC(C2C(=O)O)CC3
InChI=1SC20H27NO3c113(78145324614)2119(22)171591116(121015)18(17)20(23)24h26131518H712H21H3(H2122)(H2324)
MFCD06065349
ZINC000040488453
ZINC000245256359
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