Vitas-M small molecule compound

5-(1,3-benzodioxol-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid

Catalog ID
STK547621
SMILES O=C(CC(CC(=O)O)(C)C)Nc1ccc2c(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 C14H17NO5 MW 279.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO5/c1-14(2,7-13(17)18)6-12(16)15-9-3-4-10-11(5-9)20-8-19-10/h3-5H,6-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
RYEXWDNLTAIVKC-UHFFFAOYSA-N
Synonyms
436088-57-2
4((2H13BENZODIOXOL5YL)CARBAMOYL)33DIMETHYLBUTANOICACID
4(BENZO(13)DIOXOL5YLCARBAMOYL)33DIMETHYLBU
4(BENZO(13)DIOXOL5YLCARBAMOYL)33DIMETHYLBUTYRICACID
4(N(2HBENZO(34D)13DIOXOLAN5YL)CARBAMOYL)33DIMETHYLBUTANOICACID
436088572
5(13benzodioxol5ylamino)33dimethyl5oxopentanoicacid
5(benzo(d)(13)dioxol5ylamino)33dimethyl5oxopentanoicacid
CC(C)(CC(=O)NC1=CC2=C(C=C1)OCO2)CC(=O)O
InChI=1SC14H17NO5c114(2713(17)18)612(16)159341011(59)2081910h35H68H212H3(H1516)(H1718)
MFCD03042547
ZINC000000176079
ZINC176079

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Available files

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