Vitas-M small molecule compound
ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK195469
SMILES CCOC(=O)COc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)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 C21H16Cl2N2O5S MW 479.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O5S/c1-2-29-17(26)11-30-13-8-6-12(7-9-13)10-14-19(27)24-21(31)25(20(14)28)16-5-3-4-15(22)18(16)23/h3-10H,2,11H2,1H3,(H,24,27,31)/b14-10+InChIKey
PHZGGHYHCRQGGL-GXDHUFHOSA-NSynonyms
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
ETHYL(4((E)(1(23DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(4((E)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC21H16Cl2N2O5Sc122917(26)1130138612(7913)101419(27)2421(31)25(20(14)28)1653415(22)18(16)23h310H211H21H3(H242731)b1410+
MFCD02637511
ZINC000001176767
ZINC01176767
ZINC1176767
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