Vitas-M small molecule compound
6-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK429662
SMILES CCOC(=O)c1cc(NC(=O)C2CC=CCC2C(=O)O)cc(c1)C(=O)OCC
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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 C20H23NO7 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3,(H,21,22)(H,23,24)InChIKey
MPIOXIQSKMNYNE-UHFFFAOYSA-NSynonyms
6((35bis(ethoxycarbonyl)phenyl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(35BIS(ETHOXYCARBONYL)PHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OCC
InChI=1SC20H23NO7c132719(25)12913(20(26)2842)1114(1012)2117(22)15756816(15)18(23)24h569111516H3478H212H3(H2122)(H2324)
MFCD03233831
ZINC000004651238
ZINC000004651244
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