Vitas-M small molecule compound
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-5-yl)methanone
Catalog ID
STL412230
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1cccc2c1OCCO2
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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 C19H18ClN3O5 MW 403.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5/c20-13-4-5-15(16(12-13)23(25)26)21-6-8-22(9-7-21)19(24)14-2-1-3-17-18(14)28-11-10-27-17/h1-5,12H,6-11H2InChIKey
ZHXYCWBAZSYOPJ-UHFFFAOYSA-NSynonyms
(4(4chloro2nitrophenyl)piperazin1yl)(23dihydro14benzodioxin5yl)methanone
C1CN(CCN1C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=O)C3=C4C(=CC=C3)OCCO4
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1cccc2c1OCCO2
InChI=1SC19H18ClN3O5c20134515(16(1213)23(25)26)216822(9721)19(24)142131718(14)2811102717h1512H611H2
MFCD02917715
ZINC000005119885
ZINC05119885
ZINC5119885
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