Vitas-M small molecule compound
2-(3-phenoxyphenyl)-3-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1,3-dicarbonitrile
Catalog ID
STL321919
SMILES N#CC1N2c3ccccc3C=CC2C(C1c1cccc(c1)Oc1ccccc1)(C#N)C(=O)c1ccccc1
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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 C33H23N3O2 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O2/c34-21-29-31(25-13-9-16-27(20-25)38-26-14-5-2-6-15-26)33(22-35,32(37)24-11-3-1-4-12-24)30-19-18-23-10-7-8-17-28(23)36(29)30/h1-20,29-31HInChIKey
YKCQOKWUXZMAJZ-UHFFFAOYSA-NSynonyms
(1S2S3S3aR)3benzoyl2(3phenoxyphenyl)1233atetrahydropyrrolo(12a)quinoline13dicarbonitrile
2(3phenoxyphenyl)3(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline13dicarbonitrile
3BENZOYL2(3PHENOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE13DICARBONITRILE
C1=CC=C(C=C1)C(=O)C2(C3C=CC4=CC=CC=C4N3C(C2C5=CC(=CC=C5)OC6=CC=CC=C6)C#N)C#N
InChI=1SC33H23N3O2c34212931(251391627(2025)3826145261526)33(223532(37)24113141224)3019182310781728(23)36(29)30h1202931H
MFCD28029663
N#C(C@H)1N2c3ccccc3C=C(C@@H)2(C@@)((C@@H)1c1cccc(c1)Oc1ccccc1)(C#N)C(=O)c1ccccc1
ZINC000036006123
ZINC000036006129
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