Vitas-M small molecule compound
2-(4-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperazin-1-yl)pyrimidine
Catalog ID
STK641781
SMILES COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC1)c1ncccn1)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 C20H26N4O5S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5S2/c1-15-4-5-17(29-2)18(12-15)31(27,28)19-14-30(25,26)13-16(19)23-8-10-24(11-9-23)20-21-6-3-7-22-20/h3-7,12,16,19H,8-11,13-14H2,1-2H3/t16-,19-/m0/s1InChIKey
UWLYDHDRWWIBKN-LPHOPBHVSA-NSynonyms
1212092-60-8(3R4S)3((2methoxy5methylphenyl)sulfonyl)4(4(pyrimidin2yl)piperazin1yl)tetrahydrothiophene11dioxide
(3R4S)3(2methoxy5methylphenyl)sulfonyl4(4pyrimidin2ylpiperazin1yl)thiolane11dioxide
1212092608
2(4((3S4R)4((2methoxy5methylphenyl)sulfonyl)11dioxidotetrahydrothiophen3yl)piperazin1yl)pyrimidine
CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2N3CCN(CC3)C4=NC=CC=N4
COc1ccc(cc1S(=O)(=O)(C@H)1CS(=O)(=O)C(C@@H)1N1CCN(CC1)c1ncccn1)C
InChI=1SC20H26N4O5S2c1154517(292)18(1215)31(2728)191430(2526)1316(19)2381024(11923)20216372220h37121619H8111314H212H3t1619m0s1
MFCD18246696
ZINC000019821062
ZINC19821062
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