Vitas-M small molecule compound
6-{[4-(butoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK678287
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)C1CC(=C(CC1C(=O)O)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 C21H27NO5 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5/c1-4-5-10-27-21(26)15-6-8-16(9-7-15)22-19(23)17-11-13(2)14(3)12-18(17)20(24)25/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,22,23)(H,24,25)InChIKey
CARGTECPHKJDLX-UHFFFAOYSA-NSynonyms
6((4(butoxycarbonyl)phenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((4BUTOXYCARBONYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C
InChI=1SC21H27NO5c145102721(26)156816(9715)2219(23)171113(2)14(3)1218(17)20(24)25h691718H451012H213H3(H2223)(H2425)
MFCD02153186
ZINC000004141934
ZINC000004141937
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