Vitas-M small molecule compound
(E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL047479
SMILES Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C26H21ClN2O4 MW 460.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O4/c1-15-10-19-11-18(7-8-21(19)33-15)24(30)22-23(17-5-2-6-20(27)12-17)29(26(32)25(22)31)14-16-4-3-9-28-13-16/h2-9,11-13,15,23,30H,10,14H2,1H3/b24-22+InChIKey
BHJPCBQIGYUWNA-ZNTNEXAZSA-NSynonyms
(4E)5(3CHLOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3CHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3chlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC(=CC=C5)Cl)(O)
Clc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC26H21ClN2O4c11510191118(7821(19)3315)24(30)2223(1752620(27)1217)29(26(32)25(22)31)1416439281316h291113152330H1014H21H3b2422+
MFCD18249074
ZINC000102883288
ZINC000102883295
Check stock
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