Vitas-M small molecule compound
(4aR,7aS)-4-[2-(cyclohex-1-en-1-yl)ethyl]-1-(3-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK634287
SMILES COc1cccc(c1)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/c1-27-18-9-5-8-17(12-18)23-20-15-28(25,26)14-19(20)22(13-21(23)24)11-10-16-6-3-2-4-7-16/h5-6,8-9,12,19-20H,2-4,7,10-11,13-15H2,1H3/t19-,20+/m0/s1InChIKey
XCJXCHNMBGNSLR-VQTJNVASSA-NSynonyms
1212481-83-8(4aR7aS)4(2(cyclohex1en1yl)ethyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(2(cyclohexen1yl)ethyl)4(3methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212481838
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CCCCC4
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCC1=CCCCC1
InChI=1SC21H28N2O4Sc1271895817(1218)23201528(2526)1419(20)22(1321(23)24)1110166324716h5689121920H24710111315H21H3t1920+m0s1
MFCD18246585
ZINC000057165451
ZINC57165451
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