Vitas-M small molecule compound
methyl N-{(E)-[2-hydroxy-4,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Catalog ID
STK592834
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)CCc1ccccc1)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 C25H24N4O5 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5/c1-34-24(32)21(13-17-14-26-20-10-6-5-9-18(17)20)27-15-19-22(30)28-25(33)29(23(19)31)12-11-16-7-3-2-4-8-16/h2-10,14-15,21,26-27H,11-13H2,1H3,(H,28,30,33)/b19-15+InChIKey
ODWWUPNNXNIDOE-XDJHFCHBSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)N=C(N(C1=O)CCc1ccccc1)O
InChI=1SC25H24N4O5c13424(32)21(13171426201065918(17)20)27151922(30)2825(33)29(23(19)31)1211167324816h2101415212627H1113H21H3(H283033)b1915+
methyl3(1Hindol3yl)2(((E)(246trioxo1(2phenylethyl)13diazinan5ylidene)methyl)amino)propanoate
METHYL3(1HINDOL3YL)2(((E)(246TRIOXO1PHENETHYL13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(2hydroxy46dioxo1(2phenylethyl)16dihydropyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07198244
ZINC000020329334
ZINC000020329339
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