Vitas-M small molecule compound
(4aR,7aS)-1-(4-chlorophenyl)-4-(3,4-dimethoxybenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK639558
SMILES COc1cc(ccc1OC)CN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1ccc(cc1)Cl
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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/c1-28-19-8-3-14(9-20(19)29-2)10-23-11-21(25)24(16-6-4-15(22)5-7-16)18-13-30(26,27)12-17(18)23/h3-9,17-18H,10-13H2,1-2H3/t17-,18+/m0/s1InChIKey
LSJWRWXYQJDPCN-ZWKOTPCHSA-NSynonyms
1214633-73-4(4aR7aS)1(4chlorophenyl)4(34dimethoxybenzyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(4chlorophenyl)1((34dimethoxyphenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1214633734
COC1=C(C=C(C=C1)CN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC=C(C=C4)Cl)OC
COc1cc(ccc1OC)CN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1ccc(cc1)Cl
InChI=1SC21H23ClN2O5Sc128198314(920(19)292)10231121(25)24(166415(22)5716)181330(2627)1217(18)23h391718H1013H212H3t1718+m0s1
MFCD18246661
ZINC000055408553
ZINC55408553
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