Vitas-M small molecule compound
1-(4-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperazin-1-yl)ethanone
Catalog ID
STK642109
SMILES COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC1)C(=O)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 C18H26N2O6S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N2O6S2/c1-13-4-5-16(26-3)17(10-13)28(24,25)18-12-27(22,23)11-15(18)20-8-6-19(7-9-20)14(2)21/h4-5,10,15,18H,6-9,11-12H2,1-3H3/t15-,18-/m0/s1InChIKey
PKWXBKLTZBCDGA-YJBOKZPZSA-NSynonyms
1176585-89-91(4((3S4R)4((2methoxy5methylphenyl)sulfonyl)11dioxidotetrahydrothiophen3yl)piperazin1yl)ethanone
1(4((3S4R)4(2methoxy5methylphenyl)sulfonyl11dioxothiolan3yl)piperazin1yl)ethanone
1176585899
CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2N3CCN(CC3)C(=O)C
COc1ccc(cc1S(=O)(=O)(C@H)1CS(=O)(=O)C(C@@H)1N1CCN(CC1)C(=O)C)C
InChI=1SC18H26N2O6S2c1134516(263)17(1013)28(2425)181227(2223)1115(18)208619(7920)14(2)21h45101518H691112H213H3t1518m0s1
MFCD18246705
ZINC000019821049
ZINC19821049
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