Vitas-M small molecule compound

methyl 4-(4-ethylpiperazin-1-yl)-3-{[(2-nitrophenyl)carbonyl]amino}benzoate

Catalog ID
STK195327
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1[N+](=O)[O-])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 C21H24N4O5 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5/c1-3-23-10-12-24(13-11-23)19-9-8-15(21(27)30-2)14-17(19)22-20(26)16-6-4-5-7-18(16)25(28)29/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)
InChIKey
OFBHQIUKAYGLCS-UHFFFAOYSA-N
Synonyms

CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1(N+)(=O)(O))C(=O)OC
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H24N4O5c1323101224(131123)199815(21(27)302)1417(19)2220(26)16645718(16)25(28)29h4914H31013H212H3(H2226)
METHYL4(4ETHYLPIPERAZIN1YL)3(((2NITROPHENYL)CARBONYL)AMINO)BENZOATE
METHYL4(4ETHYLPIPERAZIN1YL)3((2NITROBENZOYL)AMINO)BENZOATE
MFCD06665791
ZINC000004712235
ZINC4712235

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Available files

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