Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK559951
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1cc[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 C25H23ClN4O6 MW 510.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O6/c1-2-36-20-8-7-17(14-19(20)26)23(31)21-22(16-5-3-6-18(13-16)30(34)35)29(25(33)24(21)32)11-4-10-28-12-9-27-15-28/h3,5-9,12-15,22,31H,2,4,10-11H2,1H3/b23-21+InChIKey
XWIXCVNCRCPOPG-XTQSDGFTSA-NSynonyms
797799-16-7(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
797799167
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
InChI=1SC25H23ClN4O6c1236208717(1419(20)26)23(31)2122(1653618(1316)30(34)35)29(25(33)24(21)32)1141028129271528h35912152231H241011H21H3b2321+
MFCD18243411
ZINC000102491713
ZINC000102491725
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