Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]cyclohexanecarboxylic acid
Catalog ID
STK414403
SMILES O=C(C1CCCCC1C(=O)O)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 C16H19NO5 MW 305.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h5-7,11-12H,1-4,8-9H2,(H,17,18)(H,19,20)InChIKey
BNKUFAPLNXFUTK-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)carbamoyl)cyclohexanecarboxylicacid
2((BENZO(13)DIOXOL5YLMETHYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
2(13BENZODIOXOL5YLMETHYLCARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2(N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O
InChI=1SC16H19NO5c1815(11312412(11)16(19)20)17810561314(710)2292113h571112H1489H2(H1718)(H1920)
MFCD00683916
ZINC000000276484
ZINC000000276488
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