Vitas-M small molecule compound
(5E)-1-(4-bromo-3-methylphenyl)-5-[3-methoxy-4-(propan-2-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170895
SMILES COc1cc(ccc1OC(C)C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-12(2)30-18-8-5-14(11-19(18)29-4)10-16-20(26)24-22(28)25(21(16)27)15-6-7-17(23)13(3)9-15/h5-12H,1-4H3,(H,24,26,28)/b16-10+InChIKey
ASQXBGSLDJXTNW-MHWRWJLKSA-NSynonyms
(5E)1(4bromo3methylphenyl)5((3methoxy4propan2yloxyphenyl)methylidene)13diazinane246trione
(5E)1(4BROMO3METHYLPHENYL)5(3METHOXY4(PROPAN2YLOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(C)C)OC)C(=O)NC2=O)Br
COc1cc(ccc1OC(C)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
InChI=1SC22H21BrN2O5c112(2)30188514(1119(18)294)101620(26)2422(28)25(21(16)27)156717(23)13(3)915h512H14H3(H242628)b1610+
MFCD02379419
ZINC000009311213
ZINC09311213
ZINC9311213
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