Vitas-M small molecule compound
(5E)-1-benzyl-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK385938
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-16-13-19(17(2)28(16)20-9-11-21(32-3)12-10-20)14-22-23(29)26-25(31)27(24(22)30)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,26,29,31)/b22-14+InChIKey
MZRDGNYSULUQCD-HYARGMPZSA-NSynonyms
(5E)1BENZYL5((1(4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1BENZYL5((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
5((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)1BENZYL13DIHYDROPYRIMIDINE246TRIONE
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4
COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC25H23N3O4c1161319(17(2)28(16)2091121(323)121020)142223(29)2625(31)27(24(22)30)15187546818h414H15H213H3(H262931)b2214+
MFCD03834774
ZINC000004083454
ZINC04083454
ZINC4083454
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