Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STL051510
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccco1
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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 C26H21NO8 MW 475.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO8/c1-32-26(31)16-6-4-15(5-7-16)22-21(24(29)25(30)27(22)14-18-3-2-10-33-18)23(28)17-8-9-19-20(13-17)35-12-11-34-19/h2-10,13,22,28H,11-12,14H2,1H3/b23-21+InChIKey
PNTYRMMYEOGOEF-XTQSDGFTSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CO5
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC26H21NO8c13226(31)166415(5716)2221(24(29)25(30)27(22)141832103318)23(28)17891920(1317)3512113419h210132228H111214H21H3b2321+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(furan2ylmethyl)45dioxopyrrolidin2yl)benzoate
METHYL4(3(23DIHYDRO14BENZODIOXIN6YLCARBONYL)1(2FURYLMETHYL)4HYDROXY5OXO25DIHYDRO1HPYRROL2YL)BENZOATE
MFCD05728013
ZINC000102889082
ZINC000102889084
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