Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl][2-(3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL147826
SMILES COc1cccc(c1)C1N(Cc2ccc[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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-14-19(15(2)28-21(14)26(33)35-4)23(30)20-22(17-8-5-9-18(11-17)34-3)29(25(32)24(20)31)13-16-7-6-10-27-12-16/h5-12,22,28,30H,13H2,1-4H3/b23-20+InChIKey
VGIUXAWJCUCLPA-BSYVCWPDSA-NSynonyms
797015-38-4(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
797015384
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)OC)(O))C)C(=O)OC
COc1cccc(c1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC26H25N3O6c11419(15(2)2821(14)26(33)354)23(30)2022(1785918(1117)343)29(25(32)24(20)31)13167610271216h512222830H13H214H3b2320+
METHYL4((E)HYDROXY(2(3METHOXYPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755269
ZINC000102925409
ZINC000102925415
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.