Vitas-M small molecule compound
(4aR,7aS)-1-(3-chlorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK644982
SMILES COc1ccc(cc1)OCCN1CC(=O)N([C@H]2[C@@H]1CS(=O)(=O)C2)c1cccc(c1)Cl
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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 C21H23ClN2O5S MW 450.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5S/c1-28-17-5-7-18(8-6-17)29-10-9-23-12-21(25)24(16-4-2-3-15(22)11-16)20-14-30(26,27)13-19(20)23/h2-8,11,19-20H,9-10,12-14H2,1H3/t19-,20+/m0/s1InChIKey
BIQGOBCGKAQJBD-VQTJNVASSA-NSynonyms
1212491-97-8(4aR7aS)1(3chlorophenyl)4(2(4methoxyphenoxy)ethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chlorophenyl)1(2(4methoxyphenoxy)ethyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212491978
COC1=CC=C(C=C1)OCCN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC(=CC=C4)Cl
COc1ccc(cc1)OCCN1CC(=O)N((C@H)2(C@@H)1CS(=O)(=O)C2)c1cccc(c1)Cl
InChI=1SC21H23ClN2O5Sc128175718(8617)29109231221(25)24(1642315(22)1116)201430(2627)1319(20)23h28111920H9101214H21H3t1920+m0s1
MFCD18246758
ZINC000036081885
ZINC36081885
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