Vitas-M small molecule compound

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

Catalog ID
STK189120
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)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 C25H31N5O6 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O6/c1-3-27-8-10-28(11-9-27)21-6-5-19(25(32)35-2)16-20(21)26-24(31)18-4-7-22(23(17-18)30(33)34)29-12-14-36-15-13-29/h4-7,16-17H,3,8-15H2,1-2H3,(H,26,31)
InChIKey
FDXVRGHIJYBJBB-UHFFFAOYSA-N
Synonyms
765920-22-7
765920227
CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)C(=O)OC
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O)
InChI=1SC25H31N5O6c132781028(11927)216519(25(32)352)1620(21)2624(31)184722(23(1718)30(33)34)29121436151329h471617H3815H212H3(H2631)
METHYL4(4ETHYLPIPERAZIN1YL)3(((4(MORPHOLIN4YL)3NITROPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4ethylpiperazin1yl)3((4morpholin4yl3nitrobenzoyl)amino)benzoate
MFCD06665205
ZINC000009908006
ZINC9908006

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Available files

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