Vitas-M small molecule compound
N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Catalog ID
STL539391
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
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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 C22H27N5O4S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O4S/c28-18(6-2-1-5-17-19-15(11-32-17)25-22(31)26-19)23-12-7-8-14-13(10-12)21(30)27-9-3-4-16(27)20(29)24-14/h7-8,10,15-17,19H,1-6,9,11H2,(H,23,28)(H,24,29)(H2,25,26,31)/t15-,16-,17-,19-/m0/s1InChIKey
LVKLHBBWXAMICE-DWRORGKVSA-NSynonyms
1574411-03-21574411032
5((3~(a)~(S)4~(S)6~(a)~(R))2oxo133~(a)466~(a)hexahydrothieno(34d)imidazol4yl)~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)pentanamide
71826317
InChI=1SC22H27N5O4Sc2818(6215171915(113217)2522(31)2619)2312781413(1012)21(30)2793416(27)20(29)2414h7810151719H16911H2(H2328)(H2429)(H2252631)t15161719m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)5((3aS4S6aR)2oxohexahydro1Hthieno(34d)imidazol4yl)pentanamide
ZINC000096115333
ZINC96115333
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