Vitas-M small molecule compound

2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]acetamide

Catalog ID
STL538694
SMILES O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2c1cccc2)Nc1ccc(nc1)C(F)(F)F

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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 C20H17F3N4O3 MW 418.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N4O3/c21-20(22,23)16-8-7-12(10-24-16)25-17(28)11-27-14-5-2-1-4-13(14)18(29)26-9-3-6-15(26)19(27)30/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,25,28)/t15-/m0/s1
InChIKey
DKIKVSTXBDQOFQ-HNNXBMFYSA-N
Synonyms
1374566-17-2
(S)2(511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)N(6(trifluoromethyl)pyridin3yl)acetamide
1374566172
2((11aS)511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)N(6(trifluoromethyl)pyridin3yl)acetamide
2((6~(a)~(S))611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)~(N)(6(trifluoromethyl)pyridin3yl)acetamide
71691948
InChI=1SC20H17F3N4O3c2120(2223)168712(102416)2517(28)112714521413(14)18(29)2693615(26)19(27)30h1245781015H36911H2(H2528)t15m0s1
O=C(CN1C(=O)(C@@H)2CCCN2C(=O)c2c1cccc2)Nc1ccc(nc1)C(F)(F)F
ZINC000072325282
ZINC72325282

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Available files

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