Vitas-M small molecule compound
methyl (3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STL058539
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S
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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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-30-19(27)12-25-11-13(14-6-2-4-8-17(14)25)10-15-20(28)24-22(31)26(21(15)29)18-9-5-3-7-16(18)23/h2-11H,12H2,1H3,(H,24,28,31)/b15-10+InChIKey
FRFKWFCQBQBABT-XNTDXEJSSA-NSynonyms
COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S
InChI=1SC22H16FN3O4Sc13019(27)12251113(14624817(14)25)101520(28)2422(31)26(21(15)29)18953716(18)23h211H12H21H3(H242831)b1510+
methyl(3((E)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((1(2FLUOROPHENYL)46DIOXO2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)INDOLYL)ACETATE
METHYL2(3((E)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD09790975
ZINC000013552709
ZINC13552709
Check stock
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Check stock on Vitas-MAvailable files
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