Vitas-M small molecule compound

3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

Catalog ID
STK603645
SMILES O=C(N1CCN(CC1)c1ccccc1)CCc1nc2c([nH]1)cc(cc2)[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 C20H21N5O3 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3/c26-20(24-12-10-23(11-13-24)15-4-2-1-3-5-15)9-8-19-21-17-7-6-16(25(27)28)14-18(17)22-19/h1-7,14H,8-13H2,(H,21,22)
InChIKey
PKNXCAQHNGZOPT-UHFFFAOYSA-N
Synonyms
895844-32-3
3(5nitro1Hbenzo(d)imidazol2yl)1(4phenylpiperazin1yl)propan1one
3(6nitro1Hbenzimidazol2yl)1(4phenylpiperazin1yl)propan1one
895844323
C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=NC4=C(N3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC20H21N5O3c2620(24121023(111324)154213515)981921177616(25(27)28)1418(17)2219h1714H813H2(H2122)
MFCD08735453
O=C(N1CCN(CC1)c1ccccc1)CCc1nc2c((nH)1)cc(cc2)(N+)(=O)(O)
O=C(N1CCN(CC1)c1ccccc1)CCc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000008742552
ZINC08742552
ZINC8742552

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Available files

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