Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK621405
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCn1ccnc1

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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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-2-13-35-21-6-3-5-19(16-21)25-24(26(32)20-7-8-22-23(17-20)37-15-14-36-22)27(33)28(34)31(25)11-4-10-30-12-9-29-18-30/h3,5-9,12,16-18,25,32H,2,4,10-11,13-15H2,1H3/b26-24+
InChIKey
UEVYMKGCYFKROR-SHHOIMCASA-N
Synonyms
618411-12-4
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3(1Himidazol1yl)propyl)5(3propoxyphenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCCn1ccnc1
InChI=1SC28H29N3O6c1213352163519(1621)2524(26(32)20782223(1720)3715143622)27(33)28(34)31(25)1141030129291830h3591216182532H2410111315H21H3b2624+
MFCD09789723
ZINC000102721278
ZINC000102721282

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Available files

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