Vitas-M small molecule compound
methyl 3-{[(5-bromo-2-methoxy-3-methylphenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK188916
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cc(Br)cc(c1OC)C)N1CCN(CC1)C(=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 C28H28BrN3O5 MW 566.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN3O5/c1-18-15-21(29)17-22(25(18)36-2)26(33)30-23-16-20(28(35)37-3)9-10-24(23)31-11-13-32(14-12-31)27(34)19-7-5-4-6-8-19/h4-10,15-17H,11-14H2,1-3H3,(H,30,33)InChIKey
VLUZFDSXVQULCC-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC
InChI=1SC28H28BrN3O5c1181521(29)1722(25(18)362)26(33)30231620(28(35)373)91024(23)31111332(141231)27(34)197546819h4101517H1114H213H3(H3033)
METHYL3(((5BROMO2METHOXY3METHYLPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
methyl4(4benzoylpiperazin1yl)3((5bromo2methoxy3methylbenzoyl)amino)benzoate
MFCD06665010
ZINC000097948374
ZINC97948374
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