Vitas-M small molecule compound

methyl 4-(4-benzylpiperazin-1-yl)-3-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzoate

Catalog ID
STK219915
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)C(=O)OC

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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 C28H30N4O6 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O6/c1-3-38-26-12-10-21(18-25(26)32(35)36)27(33)29-23-17-22(28(34)37-2)9-11-24(23)31-15-13-30(14-16-31)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,29,33)
InChIKey
LOIYGXORECHQHZ-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)C(=O)OC
InChI=1SC28H30N4O6c133826121021(1825(26)32(35)36)27(33)29231722(28(34)372)91124(23)31151330(141631)19207546820h4121718H3131619H212H3(H2933)
METHYL4(4BENZYLPIPERAZIN1YL)3(((4ETHOXY3NITROPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((4ethoxy3nitrobenzoyl)amino)benzoate
MFCD06665404
ZINC000057238694
ZINC57238694

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.