Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL047790
SMILES Cc1ccc(cc1)/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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-16-6-8-17(9-7-16)22(29)20-21(18-4-2-5-19(14-18)28(32)33)27(24(31)23(20)30)12-3-11-26-13-10-25-15-26/h2,4-10,13-15,21,29H,3,11-12H2,1H3/b22-20+InChIKey
DHLJZMXTBHFYOZ-LSDHQDQOSA-NSynonyms
(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)(N+)(=O)(O))O
Cc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
InChI=1SC24H22N4O5c1166817(9716)22(29)2021(1842519(1418)28(32)33)27(24(31)23(20)30)12311261310251526h241013152129H31112H21H3b2220+
MFCD18249139
ZINC000102883903
ZINC000102883907
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