Vitas-M small molecule compound
(5E)-5-[3-bromo-5-methoxy-4-(propan-2-yloxy)benzylidene]-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170668
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OC(C)C)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 C21H18BrClN2O5 MW 493.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O5/c1-11(2)30-18-16(22)9-12(10-17(18)29-3)8-15-19(26)24-21(28)25(20(15)27)14-6-4-13(23)5-7-14/h4-11H,1-3H3,(H,24,26,28)/b15-8+InChIKey
KLJDFOVPZPGMOU-OVCLIPMQSA-NSynonyms
(5E)5((3BROMO5METHOXY4PROPAN2YLOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5METHOXY4(PROPAN2YLOXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC(C)OC1=C(C=C(C=C1Br)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OC
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OC(C)C)Br
InChI=1SC21H18BrClN2O5c111(2)301816(22)912(1017(18)293)81519(26)2421(28)25(20(15)27)146413(23)5714h411H13H3(H242628)b158+
MFCD01788925
ZINC000001207242
ZINC01207242
ZINC1207242
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