Vitas-M small molecule compound
(E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK559223
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-])C
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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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-4-34-26(33)21-15(2)19(16(3)28-21)23(30)20-22(18-10-6-5-7-11-18)29(25(32)24(20)31)14-17-9-8-12-27-13-17/h5-13,22,28,30H,4,14H2,1-3H3/b23-20+InChIKey
ZWYHHIQTXGDHKC-BSYVCWPDSA-NSynonyms
846596-08-5(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
846596085
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)O)C
ETHYL4((E)(45DIOXO2PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H25N3O5c143426(33)2115(2)19(16(3)2821)23(30)2022(18106571118)29(25(32)24(20)31)14179812271317h513222830H414H213H3b2320+
MFCD18243214
ZINC000102485260
ZINC000102485266
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Check stock on Vitas-MAvailable files
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