Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL056786
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccc(c1)OCc1ccccc1)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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-32(2)14-7-15-33-28(22-10-6-11-24(18-22)39-20-21-8-4-3-5-9-21)27(30(35)31(33)36)29(34)23-12-13-25-26(19-23)38-17-16-37-25/h3-6,8-13,18-19,28,34H,7,14-17,20H2,1-2H3/b29-27+InChIKey
JVOAKXUWGRVAGW-ORIPQNMZSA-NSynonyms
578747-45-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
578747452
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1cccc(c1)OCc1ccccc1)C
CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC31H32N2O6c132(2)147153328(221061124(1822)3920218435921)27(30(35)31(33)36)29(34)2312132526(1923)3817163725h3681318192834H7141720H212H3b2927+
MFCD18249770
ZINC000102896810
ZINC000102896811
Check stock
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