Vitas-M small molecule compound
(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-cycloheptylhexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK644772
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)C1CCCCCC1
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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 C20H27ClN2O4S MW 426.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27ClN2O4S/c1-27-19-9-8-15(10-16(19)21)23-18-13-28(25,26)12-17(18)22(11-20(23)24)14-6-4-2-3-5-7-14/h8-10,14,17-18H,2-7,11-13H2,1H3/t17-,18+/m0/s1InChIKey
OAICUUDHJRMJRG-ZWKOTPCHSA-NSynonyms
1212436-46-8(4aR7aS)1(3chloro4methoxyphenyl)4cycloheptylhexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1cycloheptyl66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212436468
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)C4CCCCCC4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)C1CCCCCC1
InChI=1SC20H27ClN2O4Sc127199815(1016(19)21)23181328(2526)1217(18)22(1120(23)24)1464235714h810141718H271113H21H3t1718+m0s1
MFCD18246748
ZINC000055408679
ZINC55408679
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