Vitas-M small molecule compound

(1S,2S,3aR)-1-[(4-methoxyphenyl)carbonyl]-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK524724
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccccc1)(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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c1-33-22-14-11-21(12-15-22)27(32)26-25(20-8-3-2-4-9-20)28(17-29,18-30)24-16-13-19-7-5-6-10-23(19)31(24)26/h2-16,24-26H,1H3/t24-,25-,26+/m1/s1
InChIKey
IZVCSEOINBFOOD-CYXNTTPDSA-N
Synonyms
1212472-75-7
(1S2S3aR)1((4methoxyphenyl)carbonyl)2phenyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(4methoxybenzoyl)2phenyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(4methoxybenzoyl)2phenyl23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
1212472757
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5
COc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1ccccc1)(C#N)C#N
InChI=1SC28H21N3O2c13322141121(121522)27(32)2625(208324920)28(17291830)241613197561023(19)31(24)26h2162426H1H3t242526+m1s1
ZINC000008926078
ZINC08926078
ZINC8926078

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Available files

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