Vitas-M small molecule compound
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Catalog ID
STK309538
SMILES O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1)C)CCn1ncc(c1C)[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 C15H21N7O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N7O5S/c1-12-14(22(24)25)10-17-21(12)4-3-15(23)19-5-7-20(8-6-19)28(26,27)13-9-16-18(2)11-13/h9-11H,3-8H2,1-2H3InChIKey
XSZPNNZRNIGEMW-UHFFFAOYSA-NSynonyms
1005635-30-21005635302
3(5methyl4nitro1Hpyrazol1yl)1(4((1methyl1Hpyrazol4yl)sulfonyl)piperazin1yl)propan1one
3(5METHYL4NITROPYRAZOL1YL)1(4(1METHYLPYRAZOL4YL)SULFONYLPIPERAZIN1YL)PROPAN1ONE
CC1=C(C=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C)(N+)(=O)(O)
InChI=1SC15H21N7O5Sc11214(22(24)25)101721(12)4315(23)195720(8619)28(2627)1391618(2)1113h911H38H212H3
MFCD04053194
O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1)C)CCn1ncc(c1C)(N+)(=O)(O)
ZINC000002802185
ZINC02802185
ZINC2802185
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