Vitas-M small molecule compound
(4aR,7aS)-4-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK644335
SMILES COc1cccc(c1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccc2c(c1)OCO2
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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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c1-27-16-4-2-3-15(8-16)23-18-12-30(25,26)11-17(18)22(10-21(23)24)9-14-5-6-19-20(7-14)29-13-28-19/h2-8,17-18H,9-13H2,1H3/t17-,18+/m0/s1InChIKey
ACUQBVVMKBDJMN-ZWKOTPCHSA-NSynonyms
1212443-03-2(4aR7aS)4(13benzodioxol5ylmethyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(benzo(d)(13)dioxol5ylmethyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(13benzodioxol5ylmethyl)4(3methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212443032
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC5=C(C=C4)OCO5
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccc2c(c1)OCO2
InChI=1SC21H22N2O6Sc1271642315(816)23181230(2526)1117(18)22(1021(23)24)914561920(714)29132819h281718H913H21H3t1718+m0s1
MFCD18246740
ZINC000056998119
ZINC56998119
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