Vitas-M small molecule compound

(4aR,7aS)-4-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(propan-2-yl)phenyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK639893
SMILES O=C1CN(CCC2=CCCCC2)[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 C23H32N2O3S MW 416.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O3S/c1-17(2)19-8-10-20(11-9-19)25-22-16-29(27,28)15-21(22)24(14-23(25)26)13-12-18-6-4-3-5-7-18/h6,8-11,17,21-22H,3-5,7,12-16H2,1-2H3/t21-,22+/m0/s1
InChIKey
QJYBPLFYIAZYHD-FCHUYYIVSA-N
Synonyms
1212459-03-4
(4aR7aS)4(2(cyclohex1en1yl)ethyl)1(4(propan2yl)phenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aR7aS)4(2(cyclohex1en1yl)ethyl)1(4isopropylphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1(2(cyclohexen1yl)ethyl)66dioxo4(4propan2ylphenyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1212459034
CC(C)C1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CCCCC4
InChI=1SC23H32N2O3Sc117(2)1981020(11919)25221629(2728)1521(22)24(1423(25)26)1312186435718h6811172122H3571216H212H3t2122+m0s1
MFCD18246666
O=C1CN(CCC2=CCCCC2)(C@@H)2(C@H)(N1c1ccc(cc1)C(C)C)CS(=O)(=O)C2
ZINC000055408720
ZINC55408720

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Available files

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