Vitas-M small molecule compound
5,5'-{[5-(2,5-dichlorophenyl)furan-2-yl]methanediyl}bis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Catalog ID
STL367569
SMILES Clc1ccc(c(c1)c1ccc(o1)C(c1c(O)[nH]c(=S)[nH]c1=O)c1c(O)[nH]c(=S)[nH]c1=O)Cl
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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 C19H12Cl2N4O5S2 MW 511.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12Cl2N4O5S2/c20-6-1-2-8(21)7(5-6)9-3-4-10(30-9)11(12-14(26)22-18(31)23-15(12)27)13-16(28)24-19(32)25-17(13)29/h1-5,11H,(H3,22,23,26,27,31)(H3,24,25,28,29,32)InChIKey
LLDWVEQOMVDLGA-UHFFFAOYSA-NSynonyms
5((5(25dichlorophenyl)furan2yl)(6hydroxy4oxo2sulfanylidene1Hpyrimidin5yl)methyl)6hydroxy2sulfanylidene1Hpyrimidin4one
55((5(25dichlorophenyl)furan2yl)methanediyl)bis(6hydroxy2thioxo23dihydropyrimidin4(1H)one)
C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O)Cl
Clc1ccc(c(c1)c1ccc(o1)C(c1c(O)(nH)c(=S)(nH)c1=O)c1c(O)(nH)c(=S)(nH)c1=O)Cl
InChI=1SC19H12Cl2N4O5S2c206128(21)7(56)93410(309)11(1214(26)2218(31)2315(12)27)1316(28)2419(32)2517(13)29h1511H(H32223262731)(H32425282932)
MFCD28951848
ZINC000098086320
ZINC98086320
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