Vitas-M small molecule compound
3-{[4,4-bis(ethoxycarbonyl)octanoyl]amino}benzoic acid
Catalog ID
STL003936
SMILES CCCCC(C(=O)OCC)(C(=O)OCC)CCC(=O)Nc1cccc(c1)C(=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 C21H29NO7 MW 407.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO7/c1-4-7-12-21(19(26)28-5-2,20(27)29-6-3)13-11-17(23)22-16-10-8-9-15(14-16)18(24)25/h8-10,14H,4-7,11-13H2,1-3H3,(H,22,23)(H,24,25)InChIKey
ARRKBGGQBBHODB-UHFFFAOYSA-NSynonyms
439138-62-23((44bis(ethoxycarbonyl)octanoyl)amino)benzoicacid
3(44bis(ethoxycarbonyl)octanamido)benzoicacid
3(44BIS(ETHOXYCARBONYL)OCTANOYLAMINO)BENZOICACID
439138622
CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)(C(=O)OCC)C(=O)OCC
InChI=1SC21H29NO7c1471221(19(26)285220(27)2963)131117(23)2216108915(1416)18(24)25h81014H471113H213H3(H2223)(H2425)
MFCD02855737
ZINC000004955725
ZINC4955725
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