Vitas-M small molecule compound
ethyl (2-bromo-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK187892
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C21H16BrFN2O5S MW 507.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrFN2O5S/c1-2-29-18(26)11-30-17-8-3-12(10-16(17)22)9-15-19(27)24-21(31)25(20(15)28)14-6-4-13(23)5-7-14/h3-10H,2,11H2,1H3,(H,24,27,31)/b15-9-InChIKey
HZJRRNWTIUUASV-DHDCSXOGSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Br
CCOC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
ETHYL(2BROMO4((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2BROMO4((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC21H16BrFN2O5Sc122918(26)1130178312(1016(17)22)91519(27)2421(31)25(20(15)28)146413(23)5714h310H211H21H3(H242731)b159
MFCD02623735
ZINC000001199242
ZINC01199242
ZINC1199242
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