Vitas-M small molecule compound
ethyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL418792
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
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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 C30H22N2O5S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O5S/c1-2-36-29(35)21-15-13-20(14-16-21)26-18-17-24(37-26)19-25-27(33)31(22-9-5-3-6-10-22)30(38)32(28(25)34)23-11-7-4-8-12-23/h3-19H,2H2,1H3InChIKey
BAJDNPDQYKCYJR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
ETHYL4(5((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ETHYL4(5((46DIOXO13DIPHENYL2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)BENZOATE
ethyl4(5((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
InChI=1SC30H22N2O5Sc123629(35)21151320(141621)26181724(3726)192527(33)31(2295361022)30(38)32(28(25)34)23117481223h319H2H21H3
MFCD03167649
ZINC000000680915
ZINC00680915
ZINC680915
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