Vitas-M small molecule compound
(3'E)-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)-1-(prop-2-en-1-yl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
Catalog ID
STK581192
SMILES COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C21C(=O)N(c1c2cccc1)CC=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 C27H26N2O7 MW 490.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7/c1-3-11-28-19-8-5-4-7-18(19)27(26(28)33)22(24(31)25(32)29(27)12-6-13-34-2)23(30)17-9-10-20-21(16-17)36-15-14-35-20/h3-5,7-10,16,30H,1,6,11-15H2,2H3/b23-22-InChIKey
JVCYNTAMPNYHQF-FCQUAONHSA-NSynonyms
844854-92-8(3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3methoxypropyl)1(prop2en1yl)spiro(indole32pyrrolidine)245(1H)trione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3METHOXYPROPYL)1PROP2ENYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
844854928
COCCCN1C(=O)C(=O)C(=C(C2=CC3=C(C=C2)OCCO3)O)C14C5=CC=CC=C5N(C4=O)CC=C
COCCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C21C(=O)N(c1c2cccc1)CC=C
InChI=1SC27H26N2O7c13112819854718(19)27(26(28)33)22(24(31)25(32)29(27)12613342)23(30)179102021(1617)3615143520h357101630H161115H22H3b2322
MFCD07211929
ZINC000100446497
ZINC000100446502
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