Vitas-M small molecule compound
1,3-benzodioxol-5-yl[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK138639
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc2c(c1)OCO2
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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 C18H16ClN3O5 MW 389.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O5/c19-13-2-3-14(15(10-13)22(24)25)20-5-7-21(8-6-20)18(23)12-1-4-16-17(9-12)27-11-26-16/h1-4,9-10H,5-8,11H2InChIKey
DOKAVOQXJYXHDM-UHFFFAOYSA-NSynonyms
13BENZODIOXOL5YL(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=O)C3=CC4=C(C=C3)OCO4
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc2c(c1)OCO2
InChI=1SC18H16ClN3O5c19132314(15(1013)22(24)25)205721(8620)18(23)12141617(912)27112616h14910H5811H2
MFCD04545536
ZINC000004678177
ZINC04678177
ZINC4678177
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Check stock on Vitas-MAvailable files
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