Vitas-M small molecule compound
(5E)-5-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(3-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170849
SMILES C=CCOc1c(Br)cc(cc1OC)/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 C21H16Br2N2O5 MW 536.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Br2N2O5/c1-3-7-30-18-16(23)9-12(10-17(18)29-2)8-15-19(26)24-21(28)25(20(15)27)14-6-4-5-13(22)11-14/h3-6,8-11H,1,7H2,2H3,(H,24,26,28)/b15-8+InChIKey
GNZCPDIXWHWTFC-OVCLIPMQSA-NSynonyms
(5E)5((3BROMO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(3BROMOPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(3BROMOPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C=CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Br
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)Br)OCC=C
InChI=1SC21H16Br2N2O5c137301816(23)912(1017(18)292)81519(26)2421(28)25(20(15)27)1464513(22)1114h36811H17H22H3(H242628)b158+
MFCD02044616
ZINC000006906494
ZINC6906494
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