Vitas-M small molecule compound
ethyl (2-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170526
SMILES CCOC(=O)COc1ccccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)Br
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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 C21H17BrN2O6 MW 473.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O6/c1-2-29-18(25)12-30-17-9-4-3-6-13(17)10-16-19(26)23-21(28)24(20(16)27)15-8-5-7-14(22)11-15/h3-11H,2,12H2,1H3,(H,23,26,28)/b16-10+InChIKey
PUQCXJNYQOKZBC-MHWRWJLKSA-NSynonyms
425654-70-2425654702
CCOC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Br
ETHYL(2((E)(1(3BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2((E)(1(3BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC21H17BrN2O6c122918(25)123017943613(17)101619(26)2321(28)24(20(16)27)1585714(22)1115h311H212H21H3(H232628)b1610+
MFCD02783056
ZINC000001184037
ZINC01184037
ZINC1184037
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