Vitas-M small molecule compound

(2E)-1-(4-benzylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one

Catalog ID
STK015891
SMILES O=C(N1CCN(CC1)Cc1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-]

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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 C20H21N3O3 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3/c24-20(11-8-17-6-9-19(10-7-17)23(25)26)22-14-12-21(13-15-22)16-18-4-2-1-3-5-18/h1-11H,12-16H2/b11-8+
InChIKey
HTIQHFZBHHKVPJ-DHZHZOJOSA-N
Synonyms

(2E)1(4BENZYLPIPERAZIN1YL)3(4NITROPHENYL)PROP2EN1ONE
(2E)3(4NITROPHENYL)1(4BENZYLPIPERAZINYL)PROP2EN1ONE
(E)1(4BENZYLPIPERAZIN1YL)3(4NITROPHENYL)PROP2EN1ONE
C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H21N3O3c2420(118176919(10717)23(25)26)22141221(131522)16184213518h111H1216H2b118+
MFCD01346232
O=C(N1CCN(CC1)Cc1ccccc1)C=Cc1ccc(cc1)(N+)(=O)(O)
STK015891
ZINC000019760041
ZINC19760041

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Available files

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