Vitas-M small molecule compound
(5E)-5-[{[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]amino}(4-methylphenyl)methylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440964
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(/c2ccc(cc2)C)\NCCc2c(C)[nH]c3c2cc(Br)cc3)/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 C30H27BrN4O4 MW 587.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O4/c1-17-4-6-19(7-5-17)27(32-15-14-23-18(2)33-25-13-8-20(31)16-24(23)25)26-28(36)34-30(38)35(29(26)37)21-9-11-22(39-3)12-10-21/h4-13,16,32-33H,14-15H2,1-3H3,(H,34,36,38)/b27-26+InChIKey
HLGJGDRGRQCLAA-CYYJNZCTSA-NSynonyms
(5E)5(((2(5bromo2methyl1Hindol3yl)ethyl)amino)(4methylphenyl)methylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((2(5BROMO2METHYL1HINDOL3YL)ETHYLAMINO)(4METHYLPHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)C(=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)NCCC4=C(NC5=C4C=C(C=C5)Br)C
COc1ccc(cc1)N1C(=O)NC(=O)C(=C(c2ccc(cc2)C)NCCc2c(C)(nH)c3c2cc(Br)cc3)C1=O
InChI=1SC30H27BrN4O4c1174619(7517)27(3215142318(2)332513820(31)1624(23)25)2628(36)3430(38)35(29(26)37)2191122(393)121021h413163233H1415H213H3(H343638)b2726+
MFCD06241051
ZINC000101380851
ZINC101380851
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.