Vitas-M small molecule compound
6-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK334714
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)NCc1ccc2c(c1)OCO2
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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/c1-10-5-13(14(18(21)22)6-11(10)2)17(20)19-8-12-3-4-15-16(7-12)24-9-23-15/h3-4,7,13-14H,5-6,8-9H2,1-2H3,(H,19,20)(H,21,22)InChIKey
VJGWBNMMVPDGAM-UHFFFAOYSA-NSynonyms
6(((13BENZODIOXOL5YLMETHYL)AMINO)CARBONYL)34DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((13benzodioxol5ylmethyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(13BENZODIOXOL5YLMETHYLCARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C
InChI=1SC18H21NO5c110513(14(18(21)22)611(10)2)17(20)19812341516(712)2492315h3471314H5689H212H3(H1920)(H2122)
MFCD02608905
ZINC000000372451
ZINC000000372456
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