Vitas-M small molecule compound
methyl N-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK257548
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C25H24N4O5 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5/c1-14-8-15(2)10-17(9-14)29-23(31)19(22(30)28-25(29)33)13-27-21(24(32)34-3)11-16-12-26-20-7-5-4-6-18(16)20/h4-10,12-13,21,26-27H,11H2,1-3H3,(H,28,30,33)/b19-13+InChIKey
GWJAOQAKPSEVCV-CPNJWEJPSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=O)C(=CNC(CC3=CNC4=CC=CC=C43)C(=O)OC)C(=O)NC2=O)C
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC25H24N4O5c114815(2)1017(914)2923(31)19(22(30)2825(29)33)132721(24(32)343)1116122620754618(16)20h4101213212627H11H213H3(H283033)b1913+
methyl2(((E)(1(35dimethylphenyl)246trioxo13diazinan5ylidene)methyl)amino)3(1Hindol3yl)propanoate
methylN((E)(1(35dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD04013525
ZINC000101109084
ZINC000101109089
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