Vitas-M small molecule compound

3-[(1,3-benzodioxol-5-ylamino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione

Catalog ID
STL302665
SMILES O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2c(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 C17H17NO6 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO6/c19-15-12(16(20)24-17(23-15)6-2-1-3-7-17)9-18-11-4-5-13-14(8-11)22-10-21-13/h4-5,8-9,18H,1-3,6-7,10H2
InChIKey
POPUUFAHMSQJQZ-UHFFFAOYSA-N
Synonyms
369396-29-2
3((13benzodioxol5ylamino)methylidene)15dioxaspiro(55)undecane24dione
3((benzo(d)(13)dioxol5ylamino)methylene)15dioxaspiro(55)undecane24dione
369396292
9((13BENZODIOXOL5YLAMINO)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
C1CCC2(CC1)OC(=O)C(=CNC3=CC4=C(C=C3)OCO4)C(=O)O2
InChI=1SC17H17NO6c191512(16(20)2417(2315)6213717)91811451314(811)22102113h458918H136710H2
MFCD02936620
ZINC000100804847
ZINC100804847

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Available files

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