Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK560983
SMILES COc1ccccc1C1N(CCCn2cc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C26H28N4O6 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6/c1-15-19(16(2)28-21(15)26(34)36-4)23(31)20-22(17-8-5-6-9-18(17)35-3)30(25(33)24(20)32)12-7-11-29-13-10-27-14-29/h5-6,8-10,13-14,22,28,31H,7,11-12H2,1-4H3/b23-20+InChIKey
WQHUFWMJOKUODS-BSYVCWPDSA-NSynonyms
845983-39-3(E)(1(3(1Himidazol3ium1yl)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
845983393
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4OC)O)C)C(=O)OC
COc1ccccc1C1N(CCCn2cc(nH+)c2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC26H28N4O6c11519(16(2)2821(15)26(34)364)23(31)2022(17856918(17)353)30(25(33)24(20)32)12711291310271429h568101314222831H71112H214H3b2320+
METHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243681
ZINC000102500691
ZINC000102500699
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.