Vitas-M small molecule compound
ethyl 2-({(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL367426
SMILES CCOC(=O)c1c(N/C=C/2\C(=O)NC(=S)N(C2=O)c2ccccc2F)sc2c1CCCC2
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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 C22H20FN3O4S2 MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O4S2/c1-2-30-21(29)17-12-7-3-6-10-16(12)32-19(17)24-11-13-18(27)25-22(31)26(20(13)28)15-9-5-4-8-14(15)23/h4-5,8-9,11,24H,2-3,6-7,10H2,1H3,(H,25,27,31)/b13-11+InChIKey
GMKKXIZPFSTXNE-ACCUITESSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
CCOC(=O)c1c(NC=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)sc2c1CCCC2
ethyl2(((E)(1(2fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)(1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H20FN3O4S2c123021(29)17127361016(12)3219(17)24111318(27)2522(31)26(20(13)28)15954814(15)23h45891124H236710H21H3(H252731)b1311+
MFCD03236455
ZINC000000638280
ZINC638280
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