Vitas-M small molecule compound
N-[4-({5-[(E)-{1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}oxy)phenyl]acetamide
Catalog ID
STK607385
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/1\C(=NC(=O)N(C1=O)CCc1ccc(cc1)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 C29H26FN3O6 MW 531.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN3O6/c1-18(34)31-23-8-10-24(11-9-23)39-17-21-15-20(5-12-26(21)38-2)16-25-27(35)32-29(37)33(28(25)36)14-13-19-3-6-22(30)7-4-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,31,34)(H,32,35,37)/b25-16+InChIKey
QIXRLGZQLKNCBA-PCLIKHOPSA-NSynonyms
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)CCC4=CC=C(C=C4)F)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=NC(=O)N(C1=O)CCc1ccc(cc1)F)O
InChI=1SC29H26FN3O6c118(34)312381024(11923)3917211520(51226(21)382)162527(35)3229(37)33(28(25)36)1413193622(30)7419h3121516H131417H212H3(H3134)(H323537)b2516+
MFCD08732743
N(4((5((E)(1(2(4FLUOROPHENYL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
N(4((5((E)(1(2(4fluorophenyl)ethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
ZINC000097968473
ZINC97968473
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