Vitas-M small molecule compound
(1S,2S,3aR)-2-(3-bromophenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754958
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1cccc(c1)Br)(C#N)C#N
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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 C28H20BrN3O2 MW 510.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O2/c1-34-22-12-9-19(10-13-22)27(33)26-25(20-6-4-7-21(29)15-20)28(16-30,17-31)24-14-11-18-5-2-3-8-23(18)32(24)26/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1InChIKey
ZUVLWCQARMCGPA-CYXNTTPDSA-NSynonyms
(1S2S3aR)2(3bromophenyl)1((4methoxyphenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)2(3BROMOPHENYL)1(4METHOXYBENZOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)Br
COc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1cccc(c1)Br)(C#N)C#N
InChI=1SC28H20BrN3O2c1342212919(101322)27(33)2625(2064721(29)1520)28(16301731)24141118523823(18)32(24)26h2152426H1H3t242526+m1s1
MFCD13372070
ZINC000008809712
ZINC08809712
ZINC8809712
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