Vitas-M small molecule compound

(3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(2-methoxyethyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione

Catalog ID
STK590641
SMILES CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\O)/C(=O)C(=O)N2CCOC

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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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-3-4-11-28-19-8-6-5-7-18(19)27(26(28)33)22(24(31)25(32)29(27)12-13-34-2)23(30)17-9-10-20-21(16-17)36-15-14-35-20/h5-10,16,30H,3-4,11-15H2,1-2H3/b23-22-
InChIKey
REKQZLPGULDKNB-FCQUAONHSA-N
Synonyms
848730-64-3
(3E)1butyl3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2methoxyethyl)spiro(indole32pyrrolidine)245(1H)trione
(4E)1BUTYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2METHOXYETHYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
848730643
CCCCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C(=O)N3CCOC
CCCCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)O)C(=O)C(=O)N2CCOC
InChI=1SC27H28N2O7c134112819865718(19)27(26(28)33)22(24(31)25(32)29(27)1213342)23(30)179102021(1617)3615143520h5101630H341115H212H3b2322
MFCD07211763
ZINC000102607388
ZINC000102607391

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Available files

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