Vitas-M small molecule compound
(4aR,7aS)-4-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK641226
SMILES COc1ccc(cc1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCc1ccccc1F
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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 C21H23FN2O4S MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN2O4S/c1-28-17-8-6-16(7-9-17)24-20-14-29(26,27)13-19(20)23(12-21(24)25)11-10-15-4-2-3-5-18(15)22/h2-9,19-20H,10-14H2,1H3/t19-,20+/m0/s1InChIKey
KMUIDRZEJKEVOJ-VQTJNVASSA-NSynonyms
1212484-37-1(4aR7aS)4(2(2fluorophenyl)ethyl)1(4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(2fluorophenethyl)1(4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(2(2fluorophenyl)ethyl)4(4methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212484371
COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CC=CC=C4F
COc1ccc(cc1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCc1ccccc1F
InChI=1SC21H23FN2O4Sc128178616(7917)24201429(2627)1319(20)23(1221(24)25)111015423518(15)22h291920H1014H21H3t1920+m0s1
MFCD18246687
ZINC000055408590
ZINC55408590
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