Vitas-M small molecule compound
ethyl 3-(2,5-dimethyl-3-{(E)-[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Catalog ID
STK198353
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)C
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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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-5-34-26(33)19-9-7-11-22(14-19)29-17(3)13-20(18(29)4)15-23-24(31)28-27(35)30(25(23)32)21-10-6-8-16(2)12-21/h6-15H,5H2,1-4H3,(H,28,31,35)/b23-15+InChIKey
FPSIBKJWMNXOND-HZHRSRAPSA-NSynonyms
(Z)ethyl3(3((46dioxo2thioxo1(mtolyl)tetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)C
ETHYL3(25DIMETHYL3((1(3METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOATE
ETHYL3(25DIMETHYL3((E)(1(3METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
ETHYL3(25DIMETHYL3((E)(1(3METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
InChI=1SC27H25N3O4Sc153426(33)19971122(1419)2917(3)1320(18(29)4)152324(31)2827(35)30(25(23)32)21106816(2)1221h615H5H214H3(H283135)b2315+
MFCD02950822
ZINC000000977430
ZINC00977430
ZINC977430
Check stock
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Check stock on Vitas-MAvailable files
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