Vitas-M small molecule compound
methyl 4-(5-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoate
Catalog ID
STK192769
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C24H17FN2O5S MW 464.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17FN2O5S/c1-13-11-14(23(30)31-2)7-9-16(13)20-10-8-15(32-20)12-17-21(28)26-24(33)27(22(17)29)19-6-4-3-5-18(19)25/h3-12H,1-2H3,(H,26,28,33)/b17-12+InChIKey
OKAPAVWYXYZJLY-SFQUDFHCSA-NSynonyms
425653-01-6425653016
CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC24H17FN2O5Sc1131114(23(30)312)7916(13)2010815(3220)121721(28)2624(33)27(22(17)29)19643518(19)25h312H12H3(H262833)b1712+
METHYL4(5((E)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
METHYL4(5((E)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
MFCD02777387
ZINC000002736108
ZINC02736108
ZINC2736108
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