Vitas-M small molecule compound
ethyl 4-(3-{(E)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK855819
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)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 C26H22ClN3O5 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O5/c1-4-35-25(33)17-5-9-20(10-6-17)29-15(2)13-18(16(29)3)14-22-23(31)28-26(34)30(24(22)32)21-11-7-19(27)8-12-21/h5-14H,4H2,1-3H3,(H,28,31,34)/b22-14+InChIKey
JYDOPSFZVJNTIA-HYARGMPZSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O
ETHYL4(3((1(4CHLOROPHENYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL4(3((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ethyl4(3((E)(1(4chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
InChI=1SC26H22ClN3O5c143525(33)175920(10617)2915(2)1318(16(29)3)142223(31)2826(34)30(24(22)32)2111719(27)81221h514H4H213H3(H283134)b2214+
MFCD08733315
ZINC000008739239
ZINC8739239
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.