Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL049960
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1
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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 C29H27NO8 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO8/c1-34-22-14-19(15-23(35-2)28(22)36-3)25-24(26(31)18-9-10-20-21(13-18)38-12-11-37-20)27(32)29(33)30(25)16-17-7-5-4-6-8-17/h4-10,13-15,25,31H,11-12,16H2,1-3H3/b26-24+InChIKey
NHSRSVMKVIRXHK-SHHOIMCASA-NSynonyms
618856-34-1(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
618856341
COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC29H27NO8c134221419(1523(352)28(22)363)2524(26(31)189102021(1318)3812113720)27(32)29(33)30(25)16177546817h41013152531H111216H213H3b2624+
MFCD05737123
ZINC000102886317
ZINC000102886319
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