Vitas-M small molecule compound
1-(2,4-dimethoxyphenyl)-N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-5-oxopyrrolidine-3-carboxamide
Catalog ID
STL539880
SMILES COc1cc(OC)ccc1N1CC(CC1=O)C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O
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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 C25H26N4O6 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6/c1-34-16-6-8-19(21(12-16)35-2)29-13-14(10-22(29)30)23(31)26-15-5-7-18-17(11-15)25(33)28-9-3-4-20(28)24(32)27-18/h5-8,11-12,14,20H,3-4,9-10,13H2,1-2H3,(H,26,31)(H,27,32)/t14?,20-/m0/s1InChIKey
YYGFMGFRBPAVNP-LGTGAQBVSA-NSynonyms
1574253-13-6~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)1(24dimethoxyphenyl)5oxopyrrolidine3carboxamide
1(24dimethoxyphenyl)N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)5oxopyrrolidine3carboxamide
1574253136
71826035
InChI=1SC25H26N4O6c134166819(21(1216)352)291314(1022(29)30)23(31)2615571817(1115)25(33)2893420(28)24(32)2718h5811121420H3491013H212H3(H2631)(H2732)t14?20m0s1
ZINC000096115766
ZINC000096115767
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