Vitas-M small molecule compound

(4aR,7aS)-4-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK640769
SMILES COc1ccc(cc1Cl)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 C21H21ClN2O6S MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O6S/c1-28-18-5-3-14(7-15(18)22)24-17-11-31(26,27)10-16(17)23(9-21(24)25)8-13-2-4-19-20(6-13)30-12-29-19/h2-7,16-17H,8-12H2,1H3/t16-,17+/m0/s1
InChIKey
SVRHDBXUWBGMFV-DLBZAZTESA-N
Synonyms
1214626-63-7
(4aR7aS)4(13benzodioxol5ylmethyl)1(3chloro4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(benzo(d)(13)dioxol5ylmethyl)1(3chloro4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(13benzodioxol5ylmethyl)4(3chloro4methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1214626637
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC5=C(C=C4)OCO5)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccc2c(c1)OCO2
InChI=1SC21H21ClN2O6Sc128185314(715(18)22)24171131(2627)1016(17)23(921(24)25)813241920(613)30122919h271617H812H21H3t1617+m0s1
MFCD18246677
ZINC000055408643
ZINC55408643

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Available files

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