Vitas-M small molecule compound
(5E)-5-[(4-chlorophenyl){[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL441004
SMILES COc1ccc2c(c1)c(CCN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)/c1ccc(cc1)Cl)c([nH]2)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 C30H27ClN4O4 MW 543.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O4/c1-17-4-10-21(11-5-17)35-29(37)26(28(36)34-30(35)38)27(19-6-8-20(31)9-7-19)32-15-14-23-18(2)33-25-13-12-22(39-3)16-24(23)25/h4-13,16,32-33H,14-15H2,1-3H3,(H,34,36,38)/b27-26+InChIKey
OKLYMTVSMGGIBY-CYYJNZCTSA-NSynonyms
(5E)5((4chlorophenyl)((2(5methoxy2methyl1Hindol3yl)ethyl)amino)methylidene)1(4methylphenyl)pyrimidine246(1H3H5H)trione
(5E)5((4CHLOROPHENYL)(2(5METHOXY2METHYL1HINDOL3YL)ETHYLAMINO)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=C(C3=CC=C(C=C3)Cl)NCCC4=C(NC5=C4C=C(C=C5)OC)C)C(=O)NC2=O
COc1ccc2c(c1)c(CCNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)c1ccc(cc1)Cl)c((nH)2)C
InChI=1SC30H27ClN4O4c11741021(11517)3529(37)26(28(36)3430(35)38)27(196820(31)9719)3215142318(2)3325131222(393)1624(23)25h413163233H1415H213H3(H343638)b2726+
MFCD06241092
ZINC000101380729
ZINC101380729
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.