Vitas-M small molecule compound

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

Catalog ID
STK645236
SMILES COc1cccc(c1)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/c1-27-17-4-2-3-16(9-17)23-19-13-28(25,26)12-18(19)22(11-20(23)24)10-14-5-7-15(21)8-6-14/h2-9,18-19H,10-13H2,1H3/t18-,19+/m0/s1
InChIKey
IVPSJDDZEHFTKI-RBUKOAKNSA-N
Synonyms
1212450-17-3
(4aR7aS)4(4fluorobenzyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1((4fluorophenyl)methyl)4(3methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212450173
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=C(C=C4)F
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccc(cc1)F
InChI=1SC20H21FN2O4Sc1271742316(917)23191328(2526)1218(19)22(1120(23)24)10145715(21)8614h291819H1013H21H3t1819+m0s1
MFCD18246763
ZINC000056998111
ZINC56998111

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Available files

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