Vitas-M small molecule compound
ethyl 3-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK219935
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC)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 C29H30N4O7 MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O7/c1-3-39-26-13-11-21(19-25(26)33(37)38)27(34)30-23-18-22(29(36)40-4-2)10-12-24(23)31-14-16-32(17-15-31)28(35)20-8-6-5-7-9-20/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,30,34)InChIKey
DTWFGFREYQVOBS-UHFFFAOYSA-NSynonyms
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC)N1CCN(CC1)C(=O)c1ccccc1
CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4)(N+)(=O)(O)
ETHYL3(((4ETHOXY3NITROPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((4ethoxy3nitrobenzoyl)amino)benzoate
InChI=1SC29H30N4O7c133926131121(1925(26)33(37)38)27(34)30231822(29(36)4042)101224(23)31141632(171531)28(35)208657920h5131819H341417H212H3(H3034)
MFCD06665424
ZINC000097947944
ZINC97947944
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