Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-(3-chloro-4,5-diethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170522
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCC)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 C21H18BrClN2O5 MW 493.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O5/c1-3-29-17-10-12(9-16(23)18(17)30-4-2)8-15-19(26)24-21(28)25(20(15)27)14-7-5-6-13(22)11-14/h5-11H,3-4H2,1-2H3,(H,24,26,28)/b15-8+InChIKey
GHFAVOWVWSUHMR-OVCLIPMQSA-NSynonyms
425657-43-8(5E)1(3BROMOPHENYL)5((3CHLORO45DIETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(3BROMOPHENYL)5(3CHLORO45DIETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
425657438
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)Cl)OCC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCC)Cl
InChI=1SC21H18BrClN2O5c1329171012(916(23)18(17)3042)81519(26)2421(28)25(20(15)27)1475613(22)1114h511H34H212H3(H242628)b158+
MFCD02782824
ZINC000002735669
ZINC02735669
ZINC2735669
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