Vitas-M small molecule compound
(1S,2S,3aR)-1-[(4-chlorophenyl)carbonyl]-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK534549
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)F)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
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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 C27H17ClFN3O MW 453.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClFN3O/c28-20-10-5-19(6-11-20)26(33)25-24(18-7-12-21(29)13-8-18)27(15-30,16-31)23-14-9-17-3-1-2-4-22(17)32(23)25/h1-14,23-25H/t23-,24-,25+/m1/s1InChIKey
RCJWDNFXOBHJMQ-SDHSZQHLSA-NSynonyms
303012-36-4(1S2S3aR)1((4chlorophenyl)carbonyl)2(4fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(4chlorobenzoyl)2(4fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(4chlorobenzoyl)2(4fluorophenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
303012364
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)Cl
InChI=1SC27H17ClFN3Oc282010519(61120)26(33)2524(1871221(29)13818)27(15301631)2314917312422(17)32(23)25h1142325Ht232425+m1s1
N#CC1(C#N)(C@H)(c2ccc(cc2)F)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
ZINC000008934225
ZINC08934225
ZINC8934225
Check stock
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Check stock on Vitas-MAvailable files
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