Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-fluorophenyl)-1-[(3-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK526060
SMILES COc1cccc(c1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)F)(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 C28H20FN3O2 MW 449.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN3O2/c1-34-22-7-4-6-20(15-22)27(33)26-25(19-9-12-21(29)13-10-19)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
OLBCKYDERUTZPG-CYXNTTPDSA-NSynonyms
294842-13-0(1S2S3aR)2(4fluorophenyl)1((3methoxyphenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(4fluorophenyl)1(3methoxybenzoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(4fluorophenyl)1(3methoxybenzoyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
294842130
COC1=CC=CC(=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=C(C=C5)F
COc1cccc(c1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1ccc(cc1)F)(C#N)C#N
InChI=1SC28H20FN3O2c1342274620(1522)27(33)2625(1991221(29)131019)28(16301731)24141118523823(18)32(24)26h2152426H1H3t242526+m1s1
ZINC000008926455
ZINC08926455
ZINC8926455
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