Vitas-M small molecule compound
3,4-dimethyl-6-{[4-(propan-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426072
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)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 C19H25NO3 MW 315.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO3/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-9-12(3)13(4)10-17(16)19(22)23/h5-8,11,16-17H,9-10H2,1-4H3,(H,20,21)(H,22,23)InChIKey
CUMYYBACRQOPSC-UHFFFAOYSA-NSynonyms
34dimethyl6((4(propan2yl)phenyl)carbamoyl)cyclohex3ene1carboxylicacid
34DIMETHYL6((4PROPAN2YLPHENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
34DIMETHYL6(N(4(METHYLETHYL)PHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(C)C)C(=O)O)C
InChI=1SC19H25NO3c111(2)145715(8614)2018(21)16912(3)13(4)1017(16)19(22)23h58111617H910H214H3(H2021)(H2223)
MFCD02609164
ZINC000004651533
ZINC000004651536
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