Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-butoxy-2-methylphenyl)methanolate
Catalog ID
STL047425
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc[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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-3-4-14-35-22-11-12-23(18(2)15-22)26(32)24-25(20-7-9-21(29)10-8-20)31(28(34)27(24)33)17-19-6-5-13-30-16-19/h5-13,15-16,25,32H,3-4,14,17H2,1-2H3/b26-24+InChIKey
XWTANMFYQCSUMF-SHHOIMCASA-NSynonyms
384366-85-2(4E)5(4BROMOPHENYL)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4BUTOXY2METHYLPHENYL)METHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4butoxy2methylphenyl)methanolate
384366852
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Br)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc(nH+)c1)(O)
InChI=1SC28H27BrN2O4c134143522111223(18(2)1522)26(32)2425(207921(29)10820)31(28(34)27(24)33)17196513301619h51315162532H341417H212H3b2624+
MFCD18249067
ZINC000102883446
ZINC000102883448
Check stock
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