Vitas-M small molecule compound
(6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Catalog ID
STL058670
SMILES OC(CC(CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)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 C22H27FN3O6S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+InChIKey
BPRHUIZQVSMCRT-MDZDMXLPSA-MSynonyms
(6E)7(4(4fluorophenyl)2(methyl(methylsulfonyl)amino)6(propan2yl)pyrimidin5yl)35dihydroxyhept6enoate
(E)7(4(4fluorophenyl)2(methyl(methylsulfonyl)amino)6propan2ylpyrimidin5yl)35dihydroxyhept6enoate
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)(O))O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI=1SC22H28FN3O6Sc113(2)2018(10916(27)1117(28)1219(29)30)21(145715(23)8614)2522(2420)26(3)33(431)32h5101316172728H1112H214H3(H2930)p1b109+
OC(CC(CC(=O)(O))O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
ZINC000001535101
ZINC000008830651
Check stock
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Check stock on Vitas-MAvailable files
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