Vitas-M small molecule compound
ethyl 4-({(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL372453
SMILES CCOC(=O)c1ccc(cc1)N/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 C20H16FN3O4S MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O4S/c1-2-28-19(27)12-7-9-13(10-8-12)22-11-14-17(25)23-20(29)24(18(14)26)16-6-4-3-5-15(16)21/h3-11,22H,2H2,1H3,(H,23,25,29)/b14-11-InChIKey
APLZIROLUIMCDC-KAMYIIQDSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F
CCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
ETHYL4(((1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)AMINO)BENZOATE
ETHYL4(((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
ethyl4(((Z)(1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
InChI=1SC20H16FN3O4Sc122819(27)127913(10812)22111417(25)2320(29)24(18(14)26)16643515(16)21h31122H2H21H3(H232529)b1411
MFCD03711141
ZINC000003004078
ZINC03004078
ZINC3004078
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