Vitas-M small molecule compound
(3aS,4S,6aR)-4-{5-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-oxopentyl}tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Catalog ID
STL548388
SMILES O=C1N[C@@H]2[C@H](N1)[C@@H](SC2)CCCCC(=O)N1CCCCC1c1nc2c([nH]1)cccc2
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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 C22H29N5O2S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2S/c28-19(11-4-3-10-18-20-16(13-30-18)25-22(29)26-20)27-12-6-5-9-17(27)21-23-14-7-1-2-8-15(14)24-21/h1-2,7-8,16-18,20H,3-6,9-13H2,(H,23,24)(H2,25,26,29)/t16-,17?,18-,20-/m0/s1InChIKey
MSZOZNMULIEBGL-OLOOMHLZSA-NSynonyms
(3~(a)~(S)4~(S)6~(a)~(R))4(5(2(1~(H)benzimidazol2yl)piperidin1yl)5oxopentyl)133~(a)466~(a)hexahydrothieno(34d)imidazol2one
(3aS4S6aR)4(5(2(1Hbenzimidazol2yl)piperidin1yl)5oxopentyl)tetrahydro1Hthieno(34d)imidazol2(3H)one
(3AS4S6AR)4(5(2(1HBENZO(D)IMIDAZOL2YL)PIPERIDIN1YL)5OXOPENTYL)TETRAHYDRO1HTHIENO(34D)IMIDAZOL2(3H)ONE
110207821
InChI=1SC22H29N5O2Sc2819(114310182016(133018)2522(29)2620)271265917(27)212314712815(14)2421h1278161820H36913H2(H2324)(H2252629)t1617?1820m0s1
O=C1N(C@@H)2(C@H)(N1)(C@@H)(SC2)CCCCC(=O)N1CCCCC1c1nc2c((nH)1)cccc2
ZINC000253410025
ZINC000253410026
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