Vitas-M small molecule compound
5-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
Catalog ID
STL167502
SMILES COc1ccc(cc1S(=O)(=O)c1cnc(nc1N)N1CCN(CC1)c1ccc(cc1)F)Cl
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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 C21H21ClFN5O3S MW 477.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O3S/c1-31-17-7-2-14(22)12-18(17)32(29,30)19-13-25-21(26-20(19)24)28-10-8-27(9-11-28)16-5-3-15(23)4-6-16/h2-7,12-13H,8-11H2,1H3,(H2,24,25,26)InChIKey
NGXMBQGVAGFDJK-UHFFFAOYSA-NSynonyms
5((5chloro2methoxyphenyl)sulfonyl)2(4(4fluorophenyl)piperazin1yl)pyrimidin4amine
5(5chloro2methoxyphenyl)sulfonyl2(4(4fluorophenyl)piperazin1yl)pyrimidin4amine
COC1=C(C=C(C=C1)Cl)S(=O)(=O)C2=CN=C(N=C2N)N3CCN(CC3)C4=CC=C(C=C4)F
InChI=1SC21H21ClFN5O3Sc131177214(22)1218(17)32(2930)19132521(2620(19)24)2810827(91128)165315(23)4616h271213H811H21H3(H2242526)
MFCD20751838
ZINC000071771957
ZINC71771957
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