Vitas-M small molecule compound
phenyl (1S,2R,3aR)-3,3-dicyano-2-(furan-3-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1-carboxylate
Catalog ID
STK967658
SMILES N#CC1(C#N)[C@H](c2cocc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)Oc1ccccc1
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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 C25H17N3O3 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O3/c26-15-25(16-27)21-11-10-17-6-4-5-9-20(17)28(21)23(22(25)18-12-13-30-14-18)24(29)31-19-7-2-1-3-8-19/h1-14,21-23H/t21-,22-,23+/m1/s1InChIKey
FWYQTWKAYMEBJL-ZLNRFVROSA-NSynonyms
C1=CC=C(C=C1)OC(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=COC=C5
InChI=1SC25H17N3O3c261525(1627)21111017645920(17)28(21)23(22(25)181213301418)24(29)31197213819h1142123Ht212223+m1s1
N#CC1(C#N)(C@H)(c2cocc2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)Oc1ccccc1
PHENYL(1S2R3AR)33DICYANO2(3FURYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINECARBOXYLATE
phenyl(1S2R3aR)33dicyano2(furan3yl)1233atetrahydropyrrolo(12a)quinoline1carboxylate
PHENYL(1S2R3AR)33DICYANO2(FURAN3YL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE1CARBOXYLATE
ZINC000004619160
ZINC04619160
ZINC4619160
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