Vitas-M small molecule compound
4-ethoxy-N-(4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)-3-nitrobenzamide
Catalog ID
STL139204
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1C
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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/c1-3-36-25-13-8-20(18-24(25)31(34)35)26(32)28-21-9-11-22(12-10-21)29-14-16-30(17-15-29)27(33)23-7-5-4-6-19(23)2/h4-13,18H,3,14-17H2,1-2H3,(H,28,32)InChIKey
KVZUKSQLLQFRFN-UHFFFAOYSA-NSynonyms
4ethoxyN(4(4((2methylphenyl)carbonyl)piperazin1yl)phenyl)3nitrobenzamide
4ETHOXYN(4(4(2METHYLBENZOYL)PIPERAZIN1YL)PHENYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1C
InChI=1SC27H28N4O5c13362513820(1824(25)31(34)35)26(32)282191122(121021)29141630(171529)27(33)23754619(23)2h41318H31417H212H3(H2832)
MFCD03908244
ZINC000005949420
ZINC05949420
ZINC5949420
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