Vitas-M small molecule compound
6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK458558
SMILES CC(=O)c1cc2OCOc2cc1NC(=O)C1CC=CCC1C(=O)O
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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 C17H17NO6 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22)InChIKey
DXCJOVYKWBFLDA-UHFFFAOYSA-NSynonyms
6(((6ACETYL13BENZODIOXOL5YL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6(((6ACETYL13BENZODIOXOL5YL)AMINO)OXOMETHYL)1CYCLOHEX3ENECARBOXYLICACID
6((6acetyl13benzodioxol5yl)carbamoyl)cyclohex3ene1carboxylicacid
6((6ETHANOYL13BENZODIOXOL5YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(6ACETYLBENZO(13)DIOXOL5YLCARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
6(N(6ACETYL2HBENZO(D)13DIOXOLEN5YL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC(=O)C1=CC2=C(C=C1NC(=O)C3CC=CCC3C(=O)O)OCO2
InChI=1SC17H17NO6c19(19)1261415(2482314)713(12)1816(20)10423511(10)17(21)22h23671011H458H21H3(H1820)(H2122)
MFCD02373820
ZINC000004893576
ZINC000004893585
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