Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-{[(3-bromo-4-ethoxyphenyl)carbonyl]amino}benzoate
Catalog ID
STK195177
SMILES CCOc1ccc(cc1Br)C(=O)Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)C(=O)OC
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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/c1-3-36-26-12-10-21(17-23(26)29)27(33)30-24-18-22(28(34)35-2)9-11-25(24)32-15-13-31(14-16-32)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,33)InChIKey
CKOGHWLEGQROAK-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)Br
InChI=1SC28H30BrN3O4c133626121021(1723(26)29)27(33)30241822(28(34)352)91125(24)32151331(141632)19207546820h4121718H3131619H212H3(H3033)
METHYL4(4BENZYLPIPERAZIN1YL)3(((3BROMO4ETHOXYPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((3bromo4ethoxybenzoyl)amino)benzoate
MFCD06665641
ZINC000097995646
ZINC97995646
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