Vitas-M small molecule compound

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

Catalog ID
STK562205
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc[nH+]c1)/[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 C26H26BrN3O3 MW 508.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O3/c1-17(2)18-4-6-19(7-5-18)23-22(24(31)20-8-10-21(27)11-9-20)25(32)26(33)30(23)14-3-13-29-15-12-28-16-29/h4-12,15-17,23,31H,3,13-14H2,1-2H3/b24-22+
InChIKey
WEFIOPFPKBZFBG-ZNTNEXAZSA-N
Synonyms
440096-96-8
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
440096968
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc(nH+)c1)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4
InChI=1SC26H26BrN3O3c117(2)184619(7518)2322(24(31)2081021(27)11920)25(32)26(33)30(23)14313291512281629h41215172331H31314H212H3b2422+
MFCD18243988
ZINC000101062461
ZINC000101062462

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Available files

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