Vitas-M small molecule compound
ethyl 3-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK261360
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C27H25ClN4O6 MW 536.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O6/c1-2-38-27(35)20-9-11-23(30-12-14-31(15-13-30)26(34)18-6-4-3-5-7-18)22(16-20)29-25(33)19-8-10-21(28)24(17-19)32(36)37/h3-11,16-17H,2,12-15H2,1H3,(H,29,33)InChIKey
AQZSHZQYZRPHBH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCN(CC1)C(=O)c1ccccc1
ETHYL3(((4CHLORO3NITROPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((4chloro3nitrobenzoyl)amino)benzoate
InChI=1SC27H25ClN4O6c123827(35)2091123(30121431(151330)26(34)186435718)22(1620)2925(33)1981021(28)24(1719)32(36)37h3111617H21215H21H3(H2933)
MFCD07606816
ZINC000097945809
ZINC97945809
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