Vitas-M small molecule compound
2-chloro-5-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK005987
SMILES S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N1C
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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 C18H13ClN2O5S MW 404.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O5S/c1-20-15(22)12(16(23)21(2)18(20)27)8-10-4-6-14(26-10)9-3-5-13(19)11(7-9)17(24)25/h3-8H,1-2H3,(H,24,25)InChIKey
FYANRCGIYYJLTE-UHFFFAOYSA-NSynonyms
2CHLORO5(5((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO5(5((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)N(C1=S)C
InChI=1SC18H13ClN2O5Sc12015(22)12(16(23)21(2)18(20)27)8104614(2610)93513(19)11(79)17(24)25h38H12H3(H2425)
MFCD02779316
S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N1C
STK005987
ZINC000001172925
ZINC1172925
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