Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[2-(dimethylammonio)ethyl]-1-methyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK578392
SMILES C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C21C(=O)N(c1c2cccc1)C)C
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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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-26(2)10-11-28-23(31)22(30)20(21(29)15-8-9-18-19(14-15)34-13-12-33-18)25(28)16-6-4-5-7-17(16)27(3)24(25)32/h4-9,14,29H,10-13H2,1-3H3/b21-20-InChIKey
SKSFWVBZSUXPIL-MRCUWXFGSA-NSynonyms
848688-89-1(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)1METHYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)1methyl245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1(2(dimethylazaniumyl)ethyl)1methyl245trioxospiro(indole32pyrrolidine)3ylidene)methanolate
848688891
C(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C21C(=O)N(c1c2cccc1)C)C
CN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)(O))C(=O)C(=O)N3CC(NH+)(C)C
InChI=1SC25H25N3O6c126(2)10112823(31)22(30)20(21(29)15891819(1415)3413123318)25(28)16645717(16)27(3)24(25)32h491429H1013H213H3b2120
MFCD07200956
ZINC000102583788
ZINC000102583796
Check stock
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Check stock on Vitas-MAvailable files
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