Vitas-M small molecule compound
(4aR,7aS)-4-(4-fluorobenzyl)-1-[4-(propan-2-yl)phenyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK641260
SMILES Fc1ccc(cc1)CN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1ccc(cc1)C(C)C
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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 C22H25FN2O3S MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN2O3S/c1-15(2)17-5-9-19(10-6-17)25-21-14-29(27,28)13-20(21)24(12-22(25)26)11-16-3-7-18(23)8-4-16/h3-10,15,20-21H,11-14H2,1-2H3/t20-,21+/m0/s1InChIKey
XKYTUQJOKRISRJ-LEWJYISDSA-NSynonyms
1212431-76-9(4aR7aS)4(4fluorobenzyl)1(4(propan2yl)phenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(4fluorobenzyl)1(4isopropylphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1((4fluorophenyl)methyl)66dioxo4(4propan2ylphenyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1212431769
CC(C)C1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=C(C=C4)F
Fc1ccc(cc1)CN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1ccc(cc1)C(C)C
InChI=1SC22H25FN2O3Sc115(2)175919(10617)25211429(2728)1320(21)24(1222(25)26)11163718(23)8416h310152021H1114H212H3t2021+m0s1
MFCD18246688
ZINC000055408729
ZINC55408729
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