Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148310
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[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 C24H21ClN4O6 MW 496.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O6/c1-35-19-7-6-16(13-18(19)25)22(30)20-21(15-4-2-5-17(12-15)29(33)34)28(24(32)23(20)31)10-3-9-27-11-8-26-14-27/h2,4-8,11-14,21,30H,3,9-10H2,1H3/b22-20+InChIKey
MHGNMPUQYNDFGK-LSDHQDQOSA-NSynonyms
877622-90-7(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
877622907
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1c(nH+)cc1)(O)
InChI=1SC24H21ClN4O6c135197616(1318(19)25)22(30)2021(1542517(1215)29(33)34)28(24(32)23(20)31)103927118261427h24811142130H3910H21H3b2220+
MFCD20755370
ZINC000102925917
ZINC000102925919
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