Vitas-M small molecule compound
methyl N-[(E)-{4-hydroxy-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]tryptophanate
Catalog ID
STK580345
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)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 C24H19F3N4O5 MW 500.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19F3N4O5/c1-36-22(34)19(9-13-11-28-18-8-3-2-7-16(13)18)29-12-17-20(32)30-23(35)31(21(17)33)15-6-4-5-14(10-15)24(25,26)27/h2-8,10-12,19,28-29H,9H2,1H3,(H,30,32,35)/b17-12+InChIKey
AHSLJXMAJMMEQK-SFQUDFHCSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)O
InChI=1SC24H19F3N4O5c13622(34)19(913112818832716(13)18)29121720(32)3023(35)31(21(17)33)1564514(1015)24(2526)27h281012192829H9H21H3(H303235)b1712+
METHYL3(1HINDOL3YL)2(((E)(246TRIOXO1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(4hydroxy26dioxo1(3(trifluoromethyl)phenyl)16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07797320
ZINC000002195858
ZINC000002195863
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