Vitas-M small molecule compound
(5E)-5-[{[2-(1H-indol-3-yl)ethyl]amino}(4-methylphenyl)methylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440970
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(/c2ccc(cc2)C)\NCCc2c[nH]c3c2cccc3)/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 C29H26N4O4 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4/c1-18-7-9-19(10-8-18)26(30-16-15-20-17-31-24-6-4-3-5-23(20)24)25-27(34)32-29(36)33(28(25)35)21-11-13-22(37-2)14-12-21/h3-14,17,30-31H,15-16H2,1-2H3,(H,32,34,36)/b26-25+InChIKey
XLJVYHPQFPYWDY-OCEACIFDSA-NSynonyms
(5E)5(((2(1Hindol3yl)ethyl)amino)(4methylphenyl)methylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((2(1HINDOL3YL)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=CNC5=CC=CC=C54
COc1ccc(cc1)N1C(=O)NC(=O)C(=C(c2ccc(cc2)C)NCCc2c(nH)c3c2cccc3)C1=O
InChI=1SC29H26N4O4c1187919(10818)26(30161520173124643523(20)24)2527(34)3229(36)33(28(25)35)21111322(372)141221h314173031H1516H212H3(H323436)b2625+
MFCD06241057
ZINC000025182151
ZINC25182151
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