Vitas-M small molecule compound
(1S,2S,3aR)-7-bromo-2-(3-methoxyphenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL170522
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccc(cc3C=C[C@@H]2C([C@@H]1c1cccc(c1)OC)(C#N)C#N)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 C29H22BrN3O3 MW 540.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN3O3/c1-35-22-10-6-18(7-11-22)28(34)27-26(20-4-3-5-23(15-20)36-2)29(16-31,17-32)25-13-8-19-14-21(30)9-12-24(19)33(25)27/h3-15,25-27H,1-2H3/t25-,26-,27+/m1/s1InChIKey
LLGXBIAYHQILED-PFBJBMPXSA-NSynonyms
491831-54-0(1S2S3AR)7BROMO1(4METHOXYBENZOYL)2(3METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)7bromo2(3methoxyphenyl)1((4methoxyphenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
491831540
7BROMO1(4METHOXYBENZOYL)2(3METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=C(C=C4)Br)(C#N)C#N)C5=CC(=CC=C5)OC
COc1ccc(cc1)C(=O)(C@H)1N2c3ccc(cc3C=C(C@@H)2C((C@@H)1c1cccc(c1)OC)(C#N)C#N)Br
InChI=1SC29H22BrN3O3c1352210618(71122)28(34)2726(2043523(1520)362)29(16311732)25138191421(30)91224(19)33(25)27h3152527H12H3t252627+m1s1
MFCD01244810
ZINC000008456410
ZINC08456410
ZINC8456410
Check stock
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Check stock on Vitas-MAvailable files
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