Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[4-(2,6-dichlorobenzyl)piperazin-1-yl]propan-1-one
Catalog ID
STK311806
SMILES O=C(N1CCN(CC1)Cc1c(Cl)cccc1Cl)CCn1nc(c(c1)Cl)[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 C17H18Cl3N5O3 MW 446.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18Cl3N5O3/c18-13-2-1-3-14(19)12(13)10-22-6-8-23(9-7-22)16(26)4-5-24-11-15(20)17(21-24)25(27)28/h1-3,11H,4-10H2InChIKey
CUCAZFVOGQZSLD-UHFFFAOYSA-NSynonyms
1005662-34-91005662349
3(4chloro3nitro1Hpyrazol1yl)1(4(26dichlorobenzyl)piperazin1yl)propan1one
3(4chloro3nitropyrazol1yl)1(4((26dichlorophenyl)methyl)piperazin1yl)propan1one
C1CN(CCN1CC2=C(C=CC=C2Cl)Cl)C(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC17H18Cl3N5O3c181321314(19)12(13)10226823(9722)16(26)45241115(20)17(2124)25(27)28h1311H410H2
MFCD04140077
O=C(N1CCN(CC1)Cc1c(Cl)cccc1Cl)CCn1nc(c(c1)Cl)(N+)(=O)(O)
ZINC000019645342
ZINC19645342
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