Vitas-M small molecule compound
(1S,2S,3aR)-2-phenyl-1-(thiophen-3-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK315575
SMILES N#CC1(C#N)[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cscc1
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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 C25H17N3OS MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3OS/c26-15-25(16-27)21-11-10-17-6-4-5-9-20(17)28(21)23(24(29)19-12-13-30-14-19)22(25)18-7-2-1-3-8-18/h1-14,21-23H/t21-,22-,23+/m1/s1InChIKey
JGXSWBPHCGKRBU-ZLNRFVROSA-NSynonyms
(1S2S3aR)2phenyl1(thiophen3ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2phenyl1(thiophene3carbonyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
C1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CSC=C5
InChI=1SC25H17N3OSc261525(1627)21111017645920(17)28(21)23(24(29)191213301419)22(25)187213818h1142123Ht212223+m1s1
MFCD01935817
N#CC1(C#N)(C@H)(c2ccccc2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1cscc1
ZINC000005800162
ZINC05800162
ZINC5800162
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