Vitas-M small molecule compound
(4aR,7aS)-4-(4-fluorobenzyl)-1-(4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK637184
SMILES COc1ccc(cc1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccc(cc1)F
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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 C20H21FN2O4S MW 404.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O4S/c1-27-17-8-6-16(7-9-17)23-19-13-28(25,26)12-18(19)22(11-20(23)24)10-14-2-4-15(21)5-3-14/h2-9,18-19H,10-13H2,1H3/t18-,19+/m0/s1InChIKey
QBPKFUWSQFQJHJ-RBUKOAKNSA-NSynonyms
1212489-88-7(4aR7aS)4(4fluorobenzyl)1(4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1((4fluorophenyl)methyl)4(4methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212489887
COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=C(C=C4)F
COc1ccc(cc1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccc(cc1)F
InChI=1SC20H21FN2O4Sc127178616(7917)23191328(2526)1218(19)22(1120(23)24)10142415(21)5314h291819H1013H21H3t1819+m0s1
MFCD18246620
ZINC000055408578
ZINC55408578
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