Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(dimethylamino)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL051913
SMILES CN(c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)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 C28H33N3O6 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O6/c1-29(2)21-7-4-19(5-8-21)25-24(26(32)20-6-9-22-23(18-20)37-17-16-36-22)27(33)28(34)31(25)11-3-10-30-12-14-35-15-13-30/h4-9,18,25,32H,3,10-17H2,1-2H3/b26-24+
InChIKey
WHOOIWMKOFRHGI-SHHOIMCASA-N
Synonyms
620559-83-3
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4(dimethylamino)phenyl)1(3morpholin4ylpropyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(4(dimethylamino)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(4DIMETHYLAMINOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
620559833
CN(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5
CN(c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1)C
InChI=1SC28H33N3O6c129(2)217419(5821)2524(26(32)20692223(1820)3717163622)27(33)28(34)31(25)1131030121435151330h49182532H31017H212H3b2624+
MFCD18249428
ZINC000102888606
ZINC000102888607

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Available files

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