Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-{[(5-bromo-2-methoxy-3-methylphenyl)carbonyl]amino}benzoate
Catalog ID
STK195188
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cc(Br)cc(c1OC)C)N1CCN(CC1)Cc1ccccc1
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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 C28H30BrN3O4 MW 552.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrN3O4/c1-19-15-22(29)17-23(26(19)35-2)27(33)30-24-16-21(28(34)36-3)9-10-25(24)32-13-11-31(12-14-32)18-20-7-5-4-6-8-20/h4-10,15-17H,11-14,18H2,1-3H3,(H,30,33)InChIKey
PWFLLBJPUYVAOA-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)OC
InChI=1SC28H30BrN3O4c1191522(29)1723(26(19)352)27(33)30241621(28(34)363)91025(24)32131131(121432)18207546820h4101517H111418H213H3(H3033)
METHYL4(4BENZYLPIPERAZIN1YL)3(((5BROMO2METHOXY3METHYLPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((5bromo2methoxy3methylbenzoyl)amino)benzoate
MFCD06665652
ZINC000097995651
ZINC97995651
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