Vitas-M small molecule compound
methyl 3-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK219926
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1C)[N+](=O)[O-])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 C27H26N4O6 MW 502.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O6/c1-18-21(9-6-10-23(18)31(35)36)25(32)28-22-17-20(27(34)37-2)11-12-24(22)29-13-15-30(16-14-29)26(33)19-7-4-3-5-8-19/h3-12,17H,13-16H2,1-2H3,(H,28,32)InChIKey
KTLNICHYODUKAK-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4
COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1C)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1
InChI=1SC27H26N4O6c11821(961023(18)31(35)36)25(32)28221720(27(34)372)111224(22)29131530(161429)26(33)197435819h31217H1316H212H3(H2832)
METHYL3(((2METHYL3NITROPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
methyl4(4benzoylpiperazin1yl)3((2methyl3nitrobenzoyl)amino)benzoate
MFCD06665415
ZINC000010059877
ZINC10059877
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