Vitas-M small molecule compound
10-(4-bromophenyl)-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
STL251076
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc(cc1)Br
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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 C21H14BrN3O2 MW 420.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O2/c22-13-5-7-14(8-6-13)25-20(26)17-16(11-23)24-10-9-12-3-1-2-4-15(12)19(24)18(17)21(25)27/h1-10,16-19HInChIKey
PTWVTXVWTBAKCJ-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(4bromophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
10(4bromophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1=CC=C2C3C4C(C(N3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC=C(C=C5)Br
InChI=1SC21H14BrN3O2c22135714(8613)2520(26)1716(1123)2410912312415(12)19(24)18(17)21(25)27h1101619H
MFCD24852552
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)Br
ZINC000013777814
ZINC000245311667
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