Vitas-M small molecule compound
(4aR,7aS)-1-(4-bromophenyl)-4-(2-methoxybenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK644123
SMILES COc1ccccc1CN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1ccc(cc1)Br
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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 C20H21BrN2O4S MW 465.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O4S/c1-27-19-5-3-2-4-14(19)10-22-11-20(24)23(16-8-6-15(21)7-9-16)18-13-28(25,26)12-17(18)22/h2-9,17-18H,10-13H2,1H3/t17-,18+/m0/s1InChIKey
CPWYSHXSJKIEDK-ZWKOTPCHSA-NSynonyms
1212488-75-9(4aR7aS)1(4bromophenyl)4(2methoxybenzyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(4bromophenyl)1((2methoxyphenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212488759
COC1=CC=CC=C1CN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC=C(C=C4)Br
COc1ccccc1CN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1ccc(cc1)Br
InChI=1SC20H21BrN2O4Sc12719532414(19)10221120(24)23(168615(21)7916)181328(2526)1217(18)22h291718H1013H21H3t1718+m0s1
MFCD18246738
ZINC000055408299
ZINC55408299
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