Vitas-M small molecule compound
(5E)-5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175032
SMILES CCCCc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c1-4-5-9-20-12-14-23(15-13-20)29-18(2)16-21(19(29)3)17-24-25(31)28-27(33)30(26(24)32)22-10-7-6-8-11-22/h6-8,10-17H,4-5,9H2,1-3H3,(H,28,31,33)/b24-17+InChIKey
WBIBGHFSOVMRPJ-JJIBRWJFSA-NSynonyms
(5E)5((1(4BUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1PHENYLPYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1(4BUTYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL13DIAZINANE246TRIONE
CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4)C
CCCCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC27H27N3O3c145920121423(151320)2918(2)1621(19(29)3)172425(31)2827(33)30(26(24)32)22107681122h681017H459H213H3(H283133)b2417+
MFCD03729504
ZINC000002801050
ZINC02801050
ZINC2801050
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