Vitas-M small molecule compound
(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-(4-methoxybenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK639327
SMILES COc1ccc(cc1)CN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1ccc(c(c1)Cl)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 C21H23ClN2O5S MW 450.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5S/c1-28-16-6-3-14(4-7-16)10-23-11-21(25)24(19-13-30(26,27)12-18(19)23)15-5-8-20(29-2)17(22)9-15/h3-9,18-19H,10-13H2,1-2H3/t18-,19+/m0/s1InChIKey
ZDRWCYASGSBAQI-RBUKOAKNSA-NSynonyms
1212464-00-0(4aR7aS)1(3chloro4methoxyphenyl)4(4methoxybenzyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1((4methoxyphenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212464000
COC1=CC=C(C=C1)CN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1)CN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1ccc(c(c1)Cl)OC
InChI=1SC21H23ClN2O5Sc128166314(4716)10231121(25)24(191330(2627)1218(19)23)155820(292)17(22)915h391819H1013H212H3t1819+m0s1
MFCD18246658
ZINC000055408640
ZINC55408640
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