Vitas-M small molecule compound
(4aR,7aS)-1-(4-bromophenyl)-4-[2-(4-methoxyphenoxy)ethyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK631843
SMILES COc1ccc(cc1)OCCN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1ccc(cc1)Br
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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 C21H23BrN2O5S MW 495.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O5S/c1-28-17-6-8-18(9-7-17)29-11-10-23-12-21(25)24(16-4-2-15(22)3-5-16)20-14-30(26,27)13-19(20)23/h2-9,19-20H,10-14H2,1H3/t19-,20+/m0/s1InChIKey
DEUGTRLOTZMRAC-VQTJNVASSA-NSynonyms
1212428-56-2(4aR7aS)1(4bromophenyl)4(2(4methoxyphenoxy)ethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(4bromophenyl)1(2(4methoxyphenoxy)ethyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212428562
COC1=CC=C(C=C1)OCCN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC=C(C=C4)Br
COc1ccc(cc1)OCCN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1ccc(cc1)Br
InChI=1SC21H23BrN2O5Sc128176818(9717)291110231221(25)24(164215(22)3516)201430(2627)1319(20)23h291920H1014H21H3t1920+m0s1
MFCD18246540
ZINC000036081899
ZINC36081899
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