Vitas-M small molecule compound
(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[2-(cyclohex-1-en-1-yl)ethyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK633327
SMILES COc1ccc(cc1Cl)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 C21H27ClN2O4S MW 438.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN2O4S/c1-28-20-8-7-16(11-17(20)22)24-19-14-29(26,27)13-18(19)23(12-21(24)25)10-9-15-5-3-2-4-6-15/h5,7-8,11,18-19H,2-4,6,9-10,12-14H2,1H3/t18-,19+/m0/s1InChIKey
KRNPQIKNBDLUNV-RBUKOAKNSA-NSynonyms
1212465-87-6(4aR7aS)1(3chloro4methoxyphenyl)4(2(cyclohex1en1yl)ethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1(2(cyclohexen1yl)ethyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212465876
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CCCCC4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCC1=CCCCC1
InChI=1SC21H27ClN2O4Sc128208716(1117(20)22)24191429(2627)1318(19)23(1221(24)25)109155324615h578111819H2469101214H21H3t1819+m0s1
MFCD18246561
ZINC000055408625
ZINC55408625
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