Vitas-M small molecule compound

(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-(2-methoxybenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK640052
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccccc1OC

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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/c1-28-19-6-4-3-5-14(19)10-23-11-21(25)24(18-13-30(26,27)12-17(18)23)15-7-8-20(29-2)16(22)9-15/h3-9,17-18H,10-13H2,1-2H3/t17-,18+/m0/s1
InChIKey
SRGCIPVPAIRHJR-ZWKOTPCHSA-N
Synonyms
1212443-74-7
(4aR7aS)1(3chloro4methoxyphenyl)4(2methoxybenzyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1((2methoxyphenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212443747
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=CC=C4OC)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccccc1OC
InChI=1SC21H23ClN2O5Sc12819643514(19)10231121(25)24(181330(2627)1217(18)23)157820(292)16(22)915h391718H1013H212H3t1718+m0s1
MFCD18246667
ZINC000055408637
ZINC55408637

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Available files

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