Vitas-M small molecule compound
(4aR,7aS)-4-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK656228
SMILES COc1ccc(cc1)OCCN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1cccc(c1)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 C22H26N2O6S MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6S/c1-28-17-6-8-18(9-7-17)30-11-10-23-13-22(25)24(16-4-3-5-19(12-16)29-2)21-15-31(26,27)14-20(21)23/h3-9,12,20-21H,10-11,13-15H2,1-2H3/t20-,21+/m0/s1InChIKey
PDTDIWUTVWTLFQ-LEWJYISDSA-NSynonyms
1212446-81-5(4aR7aS)4(2(4methoxyphenoxy)ethyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(2(4methoxyphenoxy)ethyl)4(3methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212446815
COC1=CC=C(C=C1)OCCN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC(=CC=C4)OC
COc1ccc(cc1)OCCN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1cccc(c1)OC
InChI=1SC22H26N2O6Sc128176818(9717)301110231322(25)24(1643519(1216)292)211531(2627)1420(21)23h39122021H10111315H212H3t2021+m0s1
MFCD18246802
ZINC000036081893
ZINC36081893
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