Vitas-M small molecule compound
(3aS,4S,6aR)-4-[5-oxo-5-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Catalog ID
STL539505
SMILES O=C1N[C@@H]2[C@H](N1)[C@@H](SC2)CCCCC(=O)N1CCc2c(C1)[nH]c1c2cccc1
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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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c26-19(8-4-3-7-18-20-17(12-28-18)23-21(27)24-20)25-10-9-14-13-5-1-2-6-15(13)22-16(14)11-25/h1-2,5-6,17-18,20,22H,3-4,7-12H2,(H2,23,24,27)/t17-,18-,20-/m0/s1InChIKey
LWRYOTBDHCJQKK-BJLQDIEVSA-NSynonyms
1574477-38-5(3~(a)~(S)4~(S)6~(a)~(R))4(5oxo5(1349tetrahydropyrido(34b)indol2yl)pentyl)133~(a)466~(a)hexahydrothieno(34d)imidazol2one
(3aS4S6aR)4(5(34dihydro1Hpyrido(34b)indol2(9H)yl)5oxopentyl)tetrahydro1Hthieno(34d)imidazol2(3H)one
(3aS4S6aR)4(5oxo5(1349tetrahydro2Hbetacarbolin2yl)pentyl)tetrahydro1Hthieno(34d)imidazol2(3H)one
1574477385
71826107
InChI=1SC21H26N4O2Sc2619(8437182017(122818)2321(27)2420)251091413512615(13)2216(14)1125h125617182022H34712H2(H2232427)t171820m0s1
O=C1N(C@@H)2(C@H)(N1)(C@@H)(SC2)CCCCC(=O)N1CCc2c(C1)(nH)c1c2cccc1
ZINC000096115645
ZINC96115645
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