Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl][2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL045661
SMILES COc1ccc(cc1)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(17-7-9-18(34-3)10-8-17)29(25(32)24(20)31)13-16-6-5-11-27-12-16/h5-12,22,28,30H,13H2,1-4H3/b23-20+InChIKey
TXYCOEQNXQOEAH-BSYVCWPDSA-NSynonyms
797795-48-3(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
797795483
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OC)O)C)C(=O)OC
COc1ccc(cc1)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(177918(343)10817)29(25(32)24(20)31)13166511271216h512222830H13H214H3b2320+
METHYL4((E)HYDROXY(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248680
ZINC000102878030
ZINC000102878033
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.