Vitas-M small molecule compound
4-ethoxy-N-(4-{4-[(4-methylphenyl)carbonyl]piperazin-1-yl}phenyl)-3-nitrobenzamide
Catalog ID
STL089435
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)C
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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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c1-3-36-25-13-8-21(18-24(25)31(34)35)26(32)28-22-9-11-23(12-10-22)29-14-16-30(17-15-29)27(33)20-6-4-19(2)5-7-20/h4-13,18H,3,14-17H2,1-2H3,(H,28,32)InChIKey
JTNWUPYHFQERTH-UHFFFAOYSA-NSynonyms
4ethoxyN(4(4((4methylphenyl)carbonyl)piperazin1yl)phenyl)3nitrobenzamide
4ETHOXYN(4(4(4METHYLBENZOYL)PIPERAZIN1YL)PHENYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)C
InChI=1SC27H28N4O5c13362513821(1824(25)31(34)35)26(32)282291123(121022)29141630(171529)27(33)206419(2)5720h41318H31417H212H3(H2832)
MFCD03907304
ZINC000005949418
ZINC05949418
ZINC5949418
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