Vitas-M small molecule compound
5-(1,2-dithiolan-3-yl)-N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]pentanamide
Catalog ID
STL539927
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCCCC1SSCC1
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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 C20H25N3O3S2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S2/c24-18(6-2-1-4-14-9-11-27-28-14)21-13-7-8-16-15(12-13)20(26)23-10-3-5-17(23)19(25)22-16/h7-8,12,14,17H,1-6,9-11H2,(H,21,24)(H,22,25)/t14?,17-/m0/s1InChIKey
FJYNDFKPTXAGDQ-JRZJBTRGSA-NSynonyms
1574252-17-7~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)5(dithiolan3yl)pentanamide
1574252177
5(12dithiolan3yl)N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)pentanamide
71827253
InChI=1SC20H25N3O3S2c2418(621414911272814)2113781615(1213)20(26)23103517(23)19(25)2216h78121417H16911H2(H2124)(H2225)t14?17m0s1
ZINC000096113944
ZINC000096113945
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