Vitas-M small molecule compound

(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL147458
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCn1c[nH+]cc1)/[O-]

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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-3-17-35-22-11-7-20(8-12-22)25(31)23-24(19-5-9-21(34-2)10-6-19)30(27(33)26(23)32)15-4-14-29-16-13-28-18-29/h3,5-13,16,18,24,31H,1,4,14-15,17H2,2H3/b25-23+
InChIKey
XBEMRECGYOQODU-WJTDDFOZSA-N
Synonyms
615270-62-7
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4METHOXYPHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615270627
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCn1c(nH+)cc1)(O)
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN4C=CN=C4
InChI=1SC27H27N3O5c1317352211720(81222)25(31)2324(195921(342)10619)30(27(33)26(23)32)15414291613281829h351316182431H14141517H22H3b2523+
MFCD20755201
ZINC000101287591
ZINC000101287596

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Available files

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