Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL042613
SMILES Cc1cccc(c1)COc1ccc(cc1)/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 C31H28N4O6 MW 552.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6/c1-21-5-2-6-22(17-21)19-41-26-11-9-23(10-12-26)29(36)27-28(24-7-3-8-25(18-24)35(39)40)34(31(38)30(27)37)15-4-14-33-16-13-32-20-33/h2-3,5-13,16-18,20,28,36H,4,14-15,19H2,1H3/b29-27+InChIKey
RVYPRPHDPFCKPS-ORIPQNMZSA-NSynonyms
(E)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1c(nH+)cc1)(O)
MFCD18248173
ZINC000102870424
ZINC000102870427
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