Vitas-M small molecule compound

(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK646320
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCc1ccc(c(c1)OC)OC

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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 C23H27ClN2O6S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O6S/c1-30-20-7-5-16(11-17(20)24)26-19-14-33(28,29)13-18(19)25(12-23(26)27)9-8-15-4-6-21(31-2)22(10-15)32-3/h4-7,10-11,18-19H,8-9,12-14H2,1-3H3/t18-,19+/m0/s1
InChIKey
HMARANMGTPKGKF-RBUKOAKNSA-N
Synonyms
1214631-30-7
(4aR7aS)1(3chloro4methoxyphenyl)4(2(34dimethoxyphenyl)ethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)1(3chloro4methoxyphenyl)4(34dimethoxyphenethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1(2(34dimethoxyphenyl)ethyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1214631307
COC1=C(C=C(C=C1)CCN2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC(=C(C=C4)OC)Cl)OC
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCc1ccc(c(c1)OC)OC
InChI=1SC23H27ClN2O6Sc130207516(1117(20)24)26191433(2829)1318(19)25(1223(26)27)98154621(312)22(1015)323h4710111819H891214H213H3t1819+m0s1
MFCD18246779
ZINC000055408669
ZINC55408669

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Available files

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