Vitas-M small molecule compound
1-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK310524
SMILES COc1nn(cc1[N+](=O)[O-])CCC(=O)N1CCN(CC1)Cc1c(Cl)cccc1Cl
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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 C18H21Cl2N5O4 MW 442.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21Cl2N5O4/c1-29-18-16(25(27)28)12-24(21-18)6-5-17(26)23-9-7-22(8-10-23)11-13-14(19)3-2-4-15(13)20/h2-4,12H,5-11H2,1H3InChIKey
UNRDRRLLHAPGAU-UHFFFAOYSA-NSynonyms
1005569-49-21(4((26dichlorophenyl)methyl)piperazin1yl)3(3methoxy4nitropyrazol1yl)propan1one
1(4(26dichlorobenzyl)piperazin1yl)3(3methoxy4nitro1Hpyrazol1yl)propan1one
1005569492
COC1=NN(C=C1(N+)(=O)(O))CCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl
COc1nn(cc1(N+)(=O)(O))CCC(=O)N1CCN(CC1)Cc1c(Cl)cccc1Cl
InChI=1SC18H21Cl2N5O4c1291816(25(27)28)1224(2118)6517(26)239722(81023)111314(19)32415(13)20h2412H511H21H3
MFCD04135895
ZINC000019635325
ZINC19635325
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