Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL042774
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)OCc1ccccc1)CCCn1cc[nH+]c1)/c1ccc2c(c1)OCCO2
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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 C32H29N3O6 MW 551.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O6/c36-30(24-9-12-26-27(19-24)40-18-17-39-26)28-29(35(32(38)31(28)37)15-4-14-34-16-13-33-21-34)23-7-10-25(11-8-23)41-20-22-5-2-1-3-6-22/h1-3,5-13,16,19,21,29,36H,4,14-15,17-18,20H2/b30-28+InChIKey
TWJRQMPHTRXCGY-SJCQXOIGSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCc1ccccc1)CCCn1cc(nH+)c1)c1ccc2c(c1)OCCO2
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6)O
InChI=1SC32H29N3O6c3630(249122627(1924)4018173926)2829(35(32(38)31(28)37)15414341613332134)2371025(11823)4120225213622h135131619212936H41415171820H2b3028+
MFCD18248185
ZINC000102872222
ZINC000102872224
Check stock
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