Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565327
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[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 C25H20ClN3O6 MW 493.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O6/c1-2-35-20-9-8-17(12-19(20)26)23(30)21-22(16-6-3-7-18(11-16)29(33)34)28(25(32)24(21)31)14-15-5-4-10-27-13-15/h3-13,22,30H,2,14H2,1H3/b23-21+InChIKey
YQORIEVFHQYPCS-XTQSDGFTSA-NSynonyms
636990-99-3(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3CHLORO4ETHOXYPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(3chloro4ethoxyphenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3NITROPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636990993
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O)
InChI=1SC25H20ClN3O6c1235209817(1219(20)26)23(30)2122(1663718(1116)29(33)34)28(25(32)24(21)31)14155410271315h3132230H214H21H3b2321+
MFCD18244750
ZINC000102534216
ZINC000102534222
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