Vitas-M small molecule compound
6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK478982
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1ccc2c(c1)OCCO2
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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-10-7-13(14(18(21)22)8-11(10)2)17(20)19-12-3-4-15-16(9-12)24-6-5-23-15/h3-4,9,13-14H,5-8H2,1-2H3,(H,19,20)(H,21,22)InChIKey
ZHHDDMVPWMBRGE-UHFFFAOYSA-NSynonyms
6(23dihydro14benzodioxin6ylcarbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(2H3HBENZO(34E)14DIOXAN6YL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O)C
InChI=1SC18H21NO5c110713(14(18(21)22)811(10)2)17(20)1912341516(912)24652315h3491314H58H212H3(H1920)(H2122)
MFCD06067563
ZINC000006742448
ZINC000006742451
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