Vitas-M small molecule compound

2-{[4-(butoxycarbonyl)phenyl]carbamoyl}cyclohexanecarboxylic acid

Catalog ID
STK371987
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)C1CCCCC1C(=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 C19H25NO5 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO5/c1-2-3-12-25-19(24)13-8-10-14(11-9-13)20-17(21)15-6-4-5-7-16(15)18(22)23/h8-11,15-16H,2-7,12H2,1H3,(H,20,21)(H,22,23)
InChIKey
FNKRETGBTXXBRB-UHFFFAOYSA-N
Synonyms

(1R2R)2((4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
(1S2S)2((4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
2((4(butoxycarbonyl)phenyl)carbamoyl)cyclohexanecarboxylicacid
2((4BUTOXYCARBONYLPHENYL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2(N(4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
4((2CARBOXYCYCLOHEXANECARBONYL)AMINO)BENZOICACIDBUTYLESTER
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O
InChI=1SC19H25NO5c123122519(24)1381014(11913)2017(21)15645716(15)18(22)23h8111516H2712H21H3(H2021)(H2223)
MFCD00593771
ZINC000002729558
ZINC000002729561

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.