Vitas-M small molecule compound

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

Catalog ID
STK180007
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)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 C21H22N4O6 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6/c1-14(26)23-8-10-24(11-9-23)19-7-6-16(21(28)31-2)13-18(19)22-20(27)15-4-3-5-17(12-15)25(29)30/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)
InChIKey
PBOQTMBVNUUCTD-UHFFFAOYSA-N
Synonyms
765934-84-7
765934847
CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)C
InChI=1SC21H22N4O6c114(26)2381024(11923)197616(21(28)312)1318(19)2220(27)1543517(1215)25(29)30h371213H811H212H3(H2227)
METHYL4(4ACETYLPIPERAZIN1YL)3(((3NITROPHENYL)CARBONYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3((3NITROBENZOYL)AMINO)BENZOATE
methyl4(4acetylpiperazin1yl)3(3nitrobenzamido)benzoate
MFCD06664247
ZINC000008995827
ZINC08995827
ZINC8995827

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Available files

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