Vitas-M small molecule compound
ethyl (2-bromo-4-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK187906
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)CC
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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 C23H21BrN2O5S MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O5S/c1-3-14-5-8-16(9-6-14)26-22(29)17(21(28)25-23(26)32)11-15-7-10-19(18(24)12-15)31-13-20(27)30-4-2/h5-12H,3-4,13H2,1-2H3,(H,25,28,32)/b17-11+InChIKey
PTDZIQRXTMGTDL-GZTJUZNOSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OCC)Br)C(=O)NC2=S
CCOC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)CC
ETHYL(2BROMO4((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(2bromo4((E)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
InChI=1SC23H21BrN2O5Sc13145816(9614)2622(29)17(21(28)2523(26)32)111571019(18(24)1215)311320(27)3042h512H3413H212H3(H252832)b1711+
MFCD02628755
ZINC000009311376
ZINC09311376
ZINC9311376
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