Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1H-pyrrol-2-yl)methylidene]-1-(3-chloro-4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK712561
SMILES COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C\c2cccn2Cc2ccccc2)/C1=O
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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 C23H18ClN3O4 MW 435.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4/c1-31-20-10-9-17(13-19(20)24)27-22(29)18(21(28)25-23(27)30)12-16-8-5-11-26(16)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,25,28,30)/b18-12+InChIKey
GHRWDVWXSMXUQV-LDADJPATSA-NSynonyms
(5E)5((1benzyl1Hpyrrol2yl)methylidene)1(3chloro4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((1BENZYLPYRROL2YL)METHYLIDENE)1(3CHLORO4METHOXYPHENYL)13DIAZINANE246TRIONE
(Z)5((1benzyl1Hpyrrol2yl)methylene)1(3chloro4methoxyphenyl)pyrimidine246(1H3H5H)trione
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3CC4=CC=CC=C4)C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)NC(=O)C(=Cc2cccn2Cc2ccccc2)C1=O
InChI=1SC23H18ClN3O4c1312010917(1319(20)24)2722(29)18(21(28)2523(27)30)1216851126(16)14156324715h213H14H21H3(H252830)b1812+
MFCD13371450
ZINC000002213795
ZINC2213795
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