Vitas-M small molecule compound

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

Catalog ID
STK562166
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-4-18-36-24-12-10-23(11-13-24)27(33)25-26(22-8-6-21(7-9-22)20(2)3)32(29(35)28(25)34)16-5-15-31-17-14-30-19-31/h4,6-14,17,19-20,26,33H,1,5,15-16,18H2,2-3H3/b27-25+
InChIKey
DZNLHDDNFSXSSJ-IMVLJIQESA-N
Synonyms
615270-66-1
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
615270661
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1c(nH+)cc1)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN4C=CN=C4
InChI=1SC29H31N3O4c14183624121023(111324)27(33)2526(228621(7922)20(2)3)32(29(35)28(25)34)16515311714301931h46141719202633H15151618H223H3b2725+
MFCD18243978
ZINC000101287261
ZINC000101287264

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Available files

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