Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL037262
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-13-17(14(2)27-19(13)24(32)33-3)21(29)18-20(16-6-9-25-10-7-16)28(23(31)22(18)30)12-15-5-4-8-26-11-15/h4-11,20,27,29H,12H2,1-3H3/b21-18+InChIKey
FKJUQGSRCGUZJH-DYTRJAOYSA-NSynonyms
853753-25-0(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
853753250
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)(O))C
InChI=1SC24H22N4O5c11317(14(2)2719(13)24(32)333)21(29)1820(16692510716)28(23(31)22(18)30)1215548261115h411202729H12H213H3b2118+
METHYL4((4HYDROXY5OXO2(4PYRIDYL)1(3PYRIDYLMETHYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(45DIOXO2PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(45DIOXO2PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247391
ZINC000102858747
ZINC000102858751
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