Vitas-M small molecule compound
9,11-dioxo-10-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonitrile
Catalog ID
STL343126
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)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 C22H14F3N3O2 MW 409.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14F3N3O2/c23-22(24,25)13-5-3-6-14(10-13)28-20(29)17-16(11-26)27-9-8-12-4-1-2-7-15(12)19(27)18(17)21(28)30/h1-10,16-19HInChIKey
AKTWYVVKDWVAPK-UHFFFAOYSA-NSynonyms
(8S8aR11aS)911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1=CC=C2C3C4C(C(N3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC22H14F3N3O2c2322(2425)1353614(1013)2820(29)1716(1126)279812412715(12)19(27)18(17)21(28)30h1101619H
MFCD28032494
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1cccc(c1)C(F)(F)F
ZINC000015989594
ZINC000245309065
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