Vitas-M small molecule compound

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

Catalog ID
STK647428
SMILES COc1cccc(c1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccccc1OC

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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-27-17-8-5-7-16(10-17)23-19-14-29(25,26)13-18(19)22(12-21(23)24)11-15-6-3-4-9-20(15)28-2/h3-10,18-19H,11-14H2,1-2H3/t18-,19+/m0/s1
InChIKey
DSUDWNGJECICRI-RBUKOAKNSA-N
Synonyms
1212455-42-9
(4aR7aS)4(2methoxybenzyl)1(3methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3methoxyphenyl)1((2methoxyphenyl)methyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212455429
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=CC=C4OC
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccccc1OC
InChI=1SC21H24N2O5Sc1271785716(1017)23191429(2526)1318(19)22(1221(23)24)1115634920(15)282h3101819H1114H212H3t1819+m0s1
MFCD18246796
ZINC000057178008
ZINC57178008

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Available files

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