Vitas-M small molecule compound
(4-cyclohexylpiperazin-1-yl)(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)methanone
Catalog ID
STL144800
SMILES CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1nn(cc1C(=O)N1CCN(CC1)C1CCCCC1)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 C27H40N6O4S MW 544.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N6O4S/c1-3-37-25-12-8-7-11-24(25)31-17-19-33(20-18-31)38(35,36)26-23(21-29(2)28-26)27(34)32-15-13-30(14-16-32)22-9-5-4-6-10-22/h7-8,11-12,21-22H,3-6,9-10,13-20H2,1-2H3InChIKey
HPFXCBCNDSXXEM-UHFFFAOYSA-NSynonyms
(4cyclohexylpiperazin1yl)(3((4(2ethoxyphenyl)piperazin1yl)sulfonyl)1methyl1Hpyrazol4yl)methanone
(4cyclohexylpiperazin1yl)(3(4(2ethoxyphenyl)piperazin1yl)sulfonyl1methylpyrazol4yl)methanone
CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4CCN(CC4)C5CCCCC5)C
InChI=1SC27H40N6O4Sc13372512871124(25)31171933(201831)38(3536)2623(2129(2)2826)27(34)32151330(141632)2295461022h7811122122H369101320H212H3
MFCD20752494
ZINC000102920240
ZINC102920240
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