Vitas-M small molecule compound
(4aR,7aS)-4-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK640453
SMILES COc1ccc(cc1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCC1=CCCCC1
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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 C21H28N2O4S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4S/c1-27-18-9-7-17(8-10-18)23-20-15-28(25,26)14-19(20)22(13-21(23)24)12-11-16-5-3-2-4-6-16/h5,7-10,19-20H,2-4,6,11-15H2,1H3/t19-,20+/m0/s1InChIKey
XKWOZOPHYUANGR-VQTJNVASSA-NSynonyms
1212447-29-4(4aR7aS)4(2(cyclohex1en1yl)ethyl)1(4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(2(cyclohexen1yl)ethyl)4(4methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212447294
COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CCCCC4
COc1ccc(cc1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCC1=CCCCC1
InChI=1SC21H28N2O4Sc127189717(81018)23201528(2526)1419(20)22(1321(23)24)1211165324616h57101920H2461115H21H3t1920+m0s1
MFCD18246674
ZINC000055408569
ZINC55408569
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