Vitas-M small molecule compound

(4aR,7aS)-4-cycloheptyl-1-phenylhexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK632286
SMILES O=C1CN(C2CCCCCC2)[C@@H]2[C@H](N1c1ccccc1)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 C19H26N2O3S MW 362.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O3S/c22-19-12-20(15-8-4-1-2-5-9-15)17-13-25(23,24)14-18(17)21(19)16-10-6-3-7-11-16/h3,6-7,10-11,15,17-18H,1-2,4-5,8-9,12-14H2/t17-,18+/m0/s1
InChIKey
BDCXZQFNWNLUNY-ZWKOTPCHSA-N
Synonyms
1212469-27-6
(4aR7aS)4cycloheptyl1phenylhexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1cycloheptyl66dioxo4phenyl4a577atetrahydro2Hthieno(34b)pyrazin3one
1212469276
C1CCCC(CC1)N2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC=CC=C4
InChI=1SC19H26N2O3Sc22191220(1584125915)171325(2324)1418(17)21(19)16106371116h3671011151718H1245891214H2t1718+m0s1
MFCD18246548
O=C1CN(C2CCCCCC2)(C@@H)2(C@H)(N1c1ccccc1)CS(=O)(=O)C2
ZINC000055408464
ZINC55408464

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Available files

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