Vitas-M small molecule compound
methyl {2-[N''-(4-methylphenyl)-N'-(phenylcarbonyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Catalog ID
STL044675
SMILES COC(=O)Cc1cc(=O)nc([nH]1)N/C(=N\c1ccc(cc1)C)/NC(=O)c1ccccc1
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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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-14-8-10-16(11-9-14)23-22(26-20(30)15-6-4-3-5-7-15)27-21-24-17(12-18(28)25-21)13-19(29)31-2/h3-12H,13H2,1-2H3,(H3,23,24,25,26,27,28,30)InChIKey
JAZBKJKOMWZDGH-UHFFFAOYSA-NSynonyms
585559-81-5585559815
CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)NC3=NC(=O)C=C(N3)CC(=O)OC
COC(=O)Cc1cc(=O)nc((nH)1)NC(=Nc1ccc(cc1)C)NC(=O)c1ccccc1
InChI=1SC22H21N5O4c11481016(11914)2322(2620(30)156435715)27212417(1218(28)2521)1319(29)312h312H13H212H3(H323242526272830)
methyl(2(N(4methylphenyl)N(phenylcarbonyl)carbamimidamido)6oxo36dihydropyrimidin4yl)acetate
METHYL2(2((NBENZOYLN(4METHYLPHENYL)CARBAMIMIDOYL)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
MFCD04074549
ZINC000002393473
ZINC2393473
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