Vitas-M small molecule compound
(4aR,7aS)-1-(3-methoxyphenyl)-4-(3-methylbutyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK643238
SMILES COc1cccc(c1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCC(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 C18H26N2O4S MW 366.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N2O4S/c1-13(2)7-8-19-10-18(21)20(14-5-4-6-15(9-14)24-3)17-12-25(22,23)11-16(17)19/h4-6,9,13,16-17H,7-8,10-12H2,1-3H3/t16-,17+/m0/s1InChIKey
HJGBJRNGEGUVGE-DLBZAZTESA-NSynonyms
1212457-57-2(4aR7aS)1(3methoxyphenyl)4(3methylbutyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4isopentyl1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3methoxyphenyl)1(3methylbutyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212457572
CC(C)CCN1CC(=O)N(C2C1CS(=O)(=O)C2)C3=CC(=CC=C3)OC
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCC(C)C
InChI=1SC18H26N2O4Sc113(2)78191018(21)20(1454615(914)243)171225(2223)1116(17)19h469131617H781012H213H3t1617+m0s1
MFCD18246725
ZINC000057176042
ZINC57176042
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