Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Catalog ID
STK311882
SMILES O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1C)C)CCn1cc(c(n1)[N+](=O)[O-])Cl
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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 C15H20ClN7O5S MW 445.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20ClN7O5S/c1-11-13(9-17-19(11)2)29(27,28)22-7-5-20(6-8-22)14(24)3-4-21-10-12(16)15(18-21)23(25)26/h9-10H,3-8H2,1-2H3InChIKey
XUHRIKYGWUVJBY-UHFFFAOYSA-NSynonyms
1005575-78-91005575789
3(4chloro3nitro1Hpyrazol1yl)1(4((15dimethyl1Hpyrazol4yl)sulfonyl)piperazin1yl)propan1one
3(4chloro3nitropyrazol1yl)1(4(15dimethylpyrazol4yl)sulfonylpiperazin1yl)propan1one
CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC15H20ClN7O5Sc11113(91719(11)2)29(2728)227520(6822)14(24)34211012(16)15(1821)23(25)26h910H38H212H3
MFCD04140273
O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1C)C)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002731073
ZINC02731073
ZINC2731073
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