Vitas-M small molecule compound
(1S,2R,3aR)-1-[(4-methylphenyl)carbonyl]-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746957
SMILES N#CC1(C#N)[C@H](c2ccsc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)C
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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 C26H19N3OS MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3OS/c1-17-6-8-19(9-7-17)25(30)24-23(20-12-13-31-14-20)26(15-27,16-28)22-11-10-18-4-2-3-5-21(18)29(22)24/h2-14,22-24H,1H3/t22-,23-,24+/m1/s1InChIKey
FYSVTOIULMTRSN-SMIHKQSGSA-NSynonyms
(1S2R3AR)1((4METHYLPHENYL)CARBONYL)2(3THIENYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2R3AR)1((4METHYLPHENYL)CARBONYL)2(THIOPHEN3YL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2R3AR)1(4METHYLBENZOYL)2THIOPHEN3YL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S3aR)1(4methylbenzoyl)2(thiophen3yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
CC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CSC=C5
InChI=1SC26H19N3OSc1176819(9717)25(30)2423(201213311420)26(15271628)22111018423521(18)29(22)24h2142224H1H3t222324+m1s1
MFCD01244667
N#CC1(C#N)(C@H)(c2ccsc2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)C
N#CC1(C#N)C(c2ccsc2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)C
ZINC000003880183
ZINC03880183
ZINC3880183
Check stock
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Check stock on Vitas-MAvailable files
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