Vitas-M small molecule compound
(3aS,4S,6aR)-4-(5-oxo-5-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Catalog ID
STL544757
SMILES O=C1N[C@@H]2[C@H](N1)[C@@H](SC2)CCCCC(=O)N1CCN(CC1)CCc1ccncc1
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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 C21H31N5O2S MW 417.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O2S/c27-19(4-2-1-3-18-20-17(15-29-18)23-21(28)24-20)26-13-11-25(12-14-26)10-7-16-5-8-22-9-6-16/h5-6,8-9,17-18,20H,1-4,7,10-15H2,(H2,23,24,28)/t17-,18-,20-/m0/s1InChIKey
ZAMCTNDEWQPNKS-BJLQDIEVSA-NSynonyms
1574343-16-0(3~(a)~(S)4~(S)6~(a)~(R))4(5oxo5(4(2pyridin4ylethyl)piperazin1yl)pentyl)133~(a)466~(a)hexahydrothieno(34d)imidazol2one
(3aS4S6aR)4(5oxo5(4(2(pyridin4yl)ethyl)piperazin1yl)pentyl)tetrahydro1Hthieno(34d)imidazol2(3H)one
1574343160
75492070
InChI=1SC21H31N5O2Sc2719(4213182017(152918)2321(28)2420)26131125(121426)1071658229616h5689171820H1471015H2(H2232428)t171820m0s1
O=C1N(C@@H)2(C@H)(N1)(C@@H)(SC2)CCCCC(=O)N1CCN(CC1)CCc1ccncc1
ZINC000096222216
ZINC96222216
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