Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Catalog ID
STK312076
SMILES CCn1nc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CCn1cc(c(n1)[N+](=O)[O-])Cl)C
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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 C16H22ClN7O5S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22ClN7O5S/c1-3-21-11-14(12(2)18-21)30(28,29)23-8-6-20(7-9-23)15(25)4-5-22-10-13(17)16(19-22)24(26)27/h10-11H,3-9H2,1-2H3InChIKey
HSBBJXFBEUTOEL-UHFFFAOYSA-NSynonyms
1005576-41-91005576419
3(4chloro3nitro1Hpyrazol1yl)1(4((1ethyl3methyl1Hpyrazol4yl)sulfonyl)piperazin1yl)propan1one
3(4chloro3nitropyrazol1yl)1(4(1ethyl3methylpyrazol4yl)sulfonylpiperazin1yl)propan1one
3(4CHLORO3NITROPYRAZOLYL)1(4((1ETHYL3METHYLPYRAZOL4YL)SULFONYL)PIPERAZINYL)PROPAN1ONE
CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
CCn1nc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CCn1cc(c(n1)(N+)(=O)(O))Cl)C
InChI=1SC16H22ClN7O5Sc13211114(12(2)1821)30(2829)238620(7923)15(25)45221013(17)16(1922)24(26)27h1011H39H212H3
MFCD04140782
ZINC000002731625
ZINC02731625
ZINC2731625
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