Vitas-M small molecule compound
methyl (3-{(E)-[1-(2-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK609289
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1F)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 C22H16FN3O5 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5/c1-31-19(27)12-25-11-13(14-6-2-4-8-17(14)25)10-15-20(28)24-22(30)26(21(15)29)18-9-5-3-7-16(18)23/h2-11H,12H2,1H3,(H,24,28,30)/b15-10+InChIKey
QOROCAAFFQGSDW-XNTDXEJSSA-NSynonyms
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)c1ccccc1F)O
InChI=1SC22H16FN3O5c13119(27)12251113(14624817(14)25)101520(28)2422(30)26(21(15)29)18953716(18)23h211H12H21H3(H242830)b1510+
methyl(3((E)(1(2fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((1(2FLUOROPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)INDOLYL)ACETATE
METHYL2(3((E)(1(2FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD08730053
ZINC000013401633
ZINC13401633
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