Vitas-M small molecule compound
(E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK561545
SMILES COC(=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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-14-18(15(2)27-20(14)25(32)33-3)22(29)19-21(17-9-5-4-6-10-17)28(24(31)23(19)30)13-16-8-7-11-26-12-16/h4-12,21,27,29H,13H2,1-3H3/b22-19+InChIKey
UWQMRMFEVZNIGW-ZBJSNUHESA-NSynonyms
797797-45-6(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
797797456
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O))C
InChI=1SC25H23N3O5c11418(15(2)2720(14)25(32)333)22(29)1921(1795461017)28(24(31)23(19)30)13168711261216h412212729H13H213H3b2219+
METHYL4((E)(45DIOXO2PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243820
ZINC000102504857
ZINC000102504866
Check stock
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Check stock on Vitas-MAvailable files
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