Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL046396
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCCn1cc[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 C25H27N5O5 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O5/c1-4-35-25(34)20-15(2)18(16(3)28-20)22(31)19-21(17-6-8-26-9-7-17)30(24(33)23(19)32)12-5-11-29-13-10-27-14-29/h6-10,13-14,21,28,31H,4-5,11-12H2,1-3H3/b22-19+InChIKey
LSMHULQPXXIYNQ-ZBJSNUHESA-NSynonyms
862246-64-8(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
862246648
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCCn1cc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)O)C
ETHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H27N5O5c143525(34)2015(2)18(16(3)2820)22(31)1921(1768269717)30(24(33)23(19)32)12511291310271429h6101314212831H451112H213H3b2219+
MFCD18248841
ZINC000102880740
ZINC000102880744
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