Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Catalog ID
STK094389
SMILES O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])/C=C/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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c24-20(8-2-15-1-7-18-19(13-15)28-14-27-18)22-11-9-21(10-12-22)16-3-5-17(6-4-16)23(25)26/h1-8,13H,9-12,14H2/b8-2+InChIKey
MWPBSUKOPIFDQD-KRXBUXKQSA-NSynonyms
346726-83-8(2E)3(13BENZODIOXOL5YL)1(4(4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(4(4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(benzo(d)(13)dioxol5yl)1(4(4nitrophenyl)piperazin1yl)prop2en1one
346726838
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC20H19N3O5c2420(8215171819(1315)28142718)2211921(101222)163517(6416)23(25)26h1813H91214H2b82+
MFCD01355073
O=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C=Cc1ccc2c(c1)OCO2
STK094389
ZINC000004663589
ZINC04663589
ZINC4663589
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