Vitas-M small molecule compound
(4aR,7aS)-4-cycloheptyl-1-(3-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK633599
SMILES COc1cccc(c1)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 C20H28N2O4S MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O4S/c1-26-17-10-6-9-16(11-17)22-19-14-27(24,25)13-18(19)21(12-20(22)23)15-7-4-2-3-5-8-15/h6,9-11,15,18-19H,2-5,7-8,12-14H2,1H3/t18-,19+/m0/s1InChIKey
ZOIRQLNDVPGFTM-RBUKOAKNSA-NSynonyms
1212467-65-6(4aR7aS)4cycloheptyl1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1cycloheptyl4(3methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212467656
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)C4CCCCCC4
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)C1CCCCCC1
InChI=1SC20H28N2O4Sc12617106916(1117)22191427(2425)1318(19)21(1220(22)23)1574235815h6911151819H25781214H21H3t1819+m0s1
MFCD18246566
ZINC000056998137
ZINC56998137
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