Vitas-M small molecule compound
3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoic acid
Catalog ID
STK676932
SMILES OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1
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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 C17H16N4O6 MW 372.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O6/c22-17(23)12-10-14(20(24)25)16(15(11-12)21(26)27)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,22,23)InChIKey
ZXMVOBOZQBCOMR-UHFFFAOYSA-NSynonyms
35dinitro4(4phenylpiperazin1yl)benzoicacid
C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
InChI=1SC17H16N4O6c2217(23)121014(20(24)25)16(15(1112)21(26)27)198618(7919)134213513h151011H69H2(H2223)
MFCD02647855
OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))N1CCN(CC1)c1ccccc1
ZINC000004543458
ZINC4543458
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