Vitas-M small molecule compound
ethyl 3-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK219938
SMILES CCOC(=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 C28H28N4O6 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O6/c1-3-38-28(35)21-12-13-25(30-14-16-31(17-15-30)27(34)20-8-5-4-6-9-20)23(18-21)29-26(33)22-10-7-11-24(19(22)2)32(36)37/h4-13,18H,3,14-17H2,1-2H3,(H,29,33)InChIKey
CYEMECOHWKKILN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
CCOC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1C)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1
ETHYL3(((2METHYL3NITROPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((2methyl3nitrobenzoyl)amino)benzoate
InChI=1SC28H28N4O6c133828(35)21121325(30141631(171530)27(34)208546920)23(1821)2926(33)221071124(19(22)2)32(36)37h41318H31417H212H3(H2933)
MFCD06665427
ZINC000010059883
ZINC10059883
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