Vitas-M small molecule compound
(4aR,7aS)-4-(1,3-benzodioxol-5-ylmethyl)-1-[4-(propan-2-yl)phenyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK638930
SMILES O=C1CN(Cc2ccc3c(c2)OCO3)[C@@H]2[C@H](N1c1ccc(cc1)C(C)C)CS(=O)(=O)C2
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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 C23H26N2O5S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5S/c1-15(2)17-4-6-18(7-5-17)25-20-13-31(27,28)12-19(20)24(11-23(25)26)10-16-3-8-21-22(9-16)30-14-29-21/h3-9,15,19-20H,10-14H2,1-2H3/t19-,20+/m0/s1InChIKey
WXXBFGHVALZYOQ-VQTJNVASSA-NSynonyms
1212492-33-5(4aR7aS)4(13benzodioxol5ylmethyl)1(4(propan2yl)phenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(benzo(d)(13)dioxol5ylmethyl)1(4isopropylphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(13benzodioxol5ylmethyl)66dioxo4(4propan2ylphenyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1212492335
CC(C)C1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC5=C(C=C4)OCO5
InChI=1SC23H26N2O5Sc115(2)174618(7517)25201331(2728)1219(20)24(1123(25)26)1016382122(916)30142921h39151920H1014H212H3t1920+m0s1
MFCD18246652
O=C1CN(Cc2ccc3c(c2)OCO3)(C@@H)2(C@H)(N1c1ccc(cc1)C(C)C)CS(=O)(=O)C2
ZINC000055408740
ZINC55408740
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.