Vitas-M small molecule compound
(3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Catalog ID
STL073049
SMILES CCn1cc(c(n1)S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1C)C(=O)n1nc(cc1C)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 C22H27ClN6O3S MW 491.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN6O3S/c1-5-27-14-19(22(30)29-17(4)12-16(3)24-29)21(25-27)33(31,32)28-10-8-26(9-11-28)20-13-18(23)7-6-15(20)2/h6-7,12-14H,5,8-11H2,1-4H3InChIKey
IUEGHYBCBQGOIN-UHFFFAOYSA-NSynonyms
(3((4(5chloro2methylphenyl)piperazin1yl)sulfonyl)1ethyl1Hpyrazol4yl)(35dimethyl1Hpyrazol1yl)methanone
(3(4(5chloro2methylphenyl)piperazin1yl)sulfonyl1ethylpyrazol4yl)(35dimethylpyrazol1yl)methanone
CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C(=O)N4C(=CC(=N4)C)C
InChI=1SC22H27ClN6O3Sc15271419(22(30)2917(4)1216(3)2429)21(2527)33(3132)2810826(91128)201318(23)7615(20)2h671214H5811H214H3
MFCD18194684
ZINC000067197382
ZINC67197382
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