Vitas-M small molecule compound
(4aR,7aS)-4-(2-chlorobenzyl)-1-(3-chloro-4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK634331
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccccc1Cl
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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 C20H20Cl2N2O4S MW 455.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N2O4S/c1-28-19-7-6-14(8-16(19)22)24-18-12-29(26,27)11-17(18)23(10-20(24)25)9-13-4-2-3-5-15(13)21/h2-8,17-18H,9-12H2,1H3/t17-,18+/m0/s1InChIKey
UAKCPQREFBVLJZ-ZWKOTPCHSA-NSynonyms
1214624-91-5(4aR7aS)1(3chloro4methoxyphenyl)4(2chlorobenzyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(2chlorobenzyl)1(3chloro4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1((2chlorophenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1214624915
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=CC=C4Cl)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccccc1Cl
InChI=1SC20H20Cl2N2O4Sc128197614(816(19)22)24181229(2627)1117(18)23(1020(24)25)913423515(13)21h281718H912H21H3t1718+m0s1
MFCD18246589
ZINC000055408636
ZINC55408636
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