Vitas-M small molecule compound
ethyl [(2S,11aS)-2-hydroxy-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetate
Catalog ID
STL535139
SMILES CCOC(=O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2c1cccc2)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 C16H18N2O5 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5/c1-2-23-14(20)9-18-12-6-4-3-5-11(12)15(21)17-8-10(19)7-13(17)16(18)22/h3-6,10,13,19H,2,7-9H2,1H3/t10-,13-/m0/s1InChIKey
PCXIUDUAIJGXIX-GWCFXTLKSA-NSynonyms
1014082-38-21014082382
17572221
CCOC(=O)CN1C(=O)(C@@H)2C(C@@H)(CN2C(=O)c2c1cccc2)O
ethyl((2S11aS)2hydroxy511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)acetate
ethyl2((2S11aS)2hydroxy511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)acetate
ethyl2((6~(a)~(S)8~(S))8hydroxy611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)acetate
InChI=1SC16H18N2O5c122314(20)91812643511(12)15(21)17810(19)713(17)16(18)22h36101319H279H21H3t1013m0s1
MFCD09843907
ZINC000012902352
ZINC12902352
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