Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-[4-(butan-2-yloxy)-3-chlorobenzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175188
SMILES CCC(Oc1ccc(cc1Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C
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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 C21H18BrClN2O4 MW 477.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O4/c1-3-12(2)29-18-9-4-13(11-17(18)23)10-16-19(26)24-21(28)25(20(16)27)15-7-5-14(22)6-8-15/h4-12H,3H2,1-2H3,(H,24,26,28)/b16-10-InChIKey
OOWSJPSYSSDHEV-YBEGLDIGSA-NSynonyms
(5Z)1(4bromophenyl)5((4butan2yloxy3chlorophenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4(BUTAN2YLOXY)3CHLOROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)Cl
CCC(Oc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C
InChI=1SC21H18BrClN2O4c1312(2)29189413(1117(18)23)101619(26)2421(28)25(20(16)27)157514(22)6815h412H3H212H3(H242628)b1610
MFCD04580020
ZINC000001153572
ZINC000001153574
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