Vitas-M small molecule compound
(E)-(4-bromophenyl)[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK564984
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C26H23BrN2O4 MW 507.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O4/c1-2-13-33-21-7-3-6-19(14-21)23-22(24(30)18-8-10-20(27)11-9-18)25(31)26(32)29(23)16-17-5-4-12-28-15-17/h3-12,14-15,23,30H,2,13,16H2,1H3/b24-22+InChIKey
LDQYQNCHKKKGMT-ZNTNEXAZSA-NSynonyms
877792-05-7(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(3PROPOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BROMOPHENYL)(45DIOXO2(3PROPOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4bromophenyl)(45dioxo2(3propoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
877792057
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CC4=CN=CC=C4
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC26H23BrN2O4c1213332173619(1421)2322(24(30)1881020(27)11918)25(31)26(32)29(23)16175412281517h31214152330H21316H21H3b2422+
MFCD18244659
ZINC000102531781
ZINC000102531788
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