Vitas-M small molecule compound
methyl 4-fluoro-3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
Catalog ID
STL095928
SMILES COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1c(sc2c1c(F)ccc2)C(=O)OC
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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 C21H21FN2O5S2 MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O5S2/c1-28-15-6-3-5-14(13-15)23-9-11-24(12-10-23)31(26,27)20-18-16(22)7-4-8-17(18)30-19(20)21(25)29-2/h3-8,13H,9-12H2,1-2H3InChIKey
DQOWOBIYHIPLGS-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC
InChI=1SC21H21FN2O5S2c1281563514(1315)2391124(121023)31(2627)201816(22)74817(18)3019(20)21(25)292h3813H912H212H3
methyl4fluoro3((4(3methoxyphenyl)piperazin1yl)sulfonyl)1benzothiophene2carboxylate
methyl4fluoro3(4(3methoxyphenyl)piperazin1yl)sulfonyl1benzothiophene2carboxylate
MFCD09248929
ZINC000008604896
ZINC8604896
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