Vitas-M small molecule compound
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-methoxyphenyl)sulfonyl]piperazine
Catalog ID
STK205946
SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[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 C22H25N5O5S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O5S/c1-16-14-17(2)26(23-16)22-15-18(4-9-21(22)27(28)29)24-10-12-25(13-11-24)33(30,31)20-7-5-19(32-3)6-8-20/h4-9,14-15H,10-13H2,1-3H3InChIKey
PETAVXLXUQKCPI-UHFFFAOYSA-NSynonyms
1(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)4((4METHOXYPHENYL)SULFONYL)PIPERAZINE
1(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)4(4METHOXYPHENYL)SULFONYLPIPERAZINE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)(N+)(=O)(O))C
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC22H25N5O5Sc1161417(2)26(2316)221518(4921(22)27(28)29)24101225(131124)33(3031)207519(323)6820h491415H1013H213H3
MFCD06006819
ZINC000009971736
ZINC09971736
ZINC9971736
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