Vitas-M small molecule compound
3,4-dimethyl-6-[(4-phenylbutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK454303
SMILES CC(NC(=O)C1CC(=C(CC1C(=O)O)C)C)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/c1-13-11-17(18(20(23)24)12-14(13)2)19(22)21-15(3)9-10-16-7-5-4-6-8-16/h4-8,15,17-18H,9-12H2,1-3H3,(H,21,22)(H,23,24)InChIKey
JAECESZJDZEUAG-UHFFFAOYSA-NSynonyms
34DIMETHYL6(((1METHYL3PHENYLPROPYL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
34dimethyl6((4phenylbutan2yl)carbamoyl)cyclohex3ene1carboxylicacid
34DIMETHYL6(4PHENYLBUTAN2YLCARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
34DIMETHYL6(N(1METHYL3PHENYLPROPYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC(C)CCC2=CC=CC=C2)C(=O)O)C
InChI=1SC20H27NO3c1131117(18(20(23)24)1214(13)2)19(22)2115(3)910167546816h48151718H912H213H3(H2122)(H2324)
MFCD02609343
ZINC000004902224
ZINC000013153644
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