Vitas-M small molecule compound
10-(3-chlorophenyl)-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
STL346094
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)Cl
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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 C21H14ClN3O2 MW 375.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O2/c22-13-5-3-6-14(10-13)25-20(26)17-16(11-23)24-9-8-12-4-1-2-7-15(12)19(24)18(17)21(25)27/h1-10,16-19HInChIKey
LXEWNQWGJYWELY-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(3chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
10(3chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1=CC=C2C3C4C(C(N3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC(=CC=C5)Cl
InChI=1SC21H14ClN3O2c221353614(1013)2520(26)1716(1123)249812412715(12)19(24)18(17)21(25)27h1101619H
MFCD28032193
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1cccc(c1)Cl
ZINC000016033657
ZINC000245311045
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