Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-1-methyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK596347
SMILES C[NH+](CCCN1C(=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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-27(2)11-6-12-29-24(32)23(31)21(22(30)16-9-10-19-20(15-16)35-14-13-34-19)26(29)17-7-4-5-8-18(17)28(3)25(26)33/h4-5,7-10,15,30H,6,11-14H2,1-3H3/b22-21-InChIKey
GJGRJXGTYBVKML-DQRAZIAOSA-NSynonyms
844823-58-1(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)1METHYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)1methyl245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
844823581
C(NH+)(CCCN1C(=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)N3CCCN(C)C
InChI=1SC26H27N3O6c127(2)116122924(32)23(31)21(22(30)169101920(1516)3514133419)26(29)17745818(17)28(3)25(26)33h457101530H61114H213H3b2221
MFCD07203673
ZINC000102620390
ZINC000102620397
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