Vitas-M small molecule compound

1-ethyl-4-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperazine

Catalog ID
STK637450
SMILES CCN1CCN(CC1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC

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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 C18H28N2O5S2 MW 416.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O5S2/c1-4-19-7-9-20(10-8-19)15-12-26(21,22)13-18(15)27(23,24)17-11-14(2)5-6-16(17)25-3/h5-6,11,15,18H,4,7-10,12-13H2,1-3H3/t15-,18-/m0/s1
InChIKey
MRCVWHQICKXKAW-YJBOKZPZSA-N
Synonyms
1014408-36-6
(3S4R)3(4ethylpiperazin1yl)4((2methoxy5methylphenyl)sulfonyl)tetrahydrothiophene11dioxide
(3S4R)3(4ethylpiperazin1yl)4(2methoxy5methylphenyl)sulfonylthiolane11dioxide
1014408366
1ethyl4((3S4R)4((2methoxy5methylphenyl)sulfonyl)11dioxidotetrahydrothiophen3yl)piperazine
CCN1CCN(CC1)(C@H)1CS(=O)(=O)C(C@@H)1S(=O)(=O)c1cc(C)ccc1OC
CCN1CCN(CC1)C2CS(=O)(=O)CC2S(=O)(=O)C3=C(C=CC(=C3)C)OC
InChI=1SC18H28N2O5S2c14197920(10819)151226(2122)1318(15)27(2324)171114(2)5616(17)253h56111518H47101213H213H3t1518m0s1
MFCD18246626
ZINC000022935499
ZINC22935499

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.