Vitas-M small molecule compound
10-(3-chloro-4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonitrile
Catalog ID
STL349220
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)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 C21H13ClFN3O2 MW 393.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClFN3O2/c22-14-9-12(5-6-15(14)23)26-20(27)17-16(10-24)25-8-7-11-3-1-2-4-13(11)19(25)18(17)21(26)28/h1-9,16-19HInChIKey
RLWFGRFNTJCAKV-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(3chloro4fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
10(3chloro4fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1=CC=C2C3C4C(C(N3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl
InChI=1SC21H13ClFN3O2c2214912(5615(14)23)2620(27)1716(1024)258711312413(11)19(25)18(17)21(26)28h191619H
MFCD07200428
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F
ZINC000016007378
ZINC000245311992
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