Vitas-M small molecule compound
(E)-{1-butyl-1'-[2-(dimethylammonio)ethyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK585486
SMILES CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CC[NH+](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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-4-5-12-30-20-9-7-6-8-19(20)28(27(30)35)23(25(33)26(34)31(28)14-13-29(2)3)24(32)18-10-11-21-22(17-18)37-16-15-36-21/h6-11,17,32H,4-5,12-16H2,1-3H3/b24-23-InChIKey
WNEKVDXVBROIAH-VHXPQNKSSA-NSynonyms
843622-67-3(4E)1BUTYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)(1butyl1(2(dimethylammonio)ethyl)245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1butyl1(2(dimethylazaniumyl)ethyl)245trioxospiro(indole32pyrrolidine)3ylidene)(23dihydro14benzodioxin6yl)methanolate
843622673
CCCCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)(O))C(=O)C(=O)N3CC(NH+)(C)C
CCCCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)(O))C(=O)C(=O)N2CC(NH+)(C)C
InChI=1SC28H31N3O6c145123020976819(20)28(27(30)35)23(25(33)26(34)31(28)141329(2)3)24(32)1810112122(1718)3716153621h6111732H451216H213H3b2423
MFCD07212597
ZINC000102598470
ZINC000102598474
Check stock
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Check stock on Vitas-MAvailable files
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