Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-(3-iodophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746513
SMILES N#CC1(C#N)[C@H](c2cccc(c2)I)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)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 C22H16IN3O MW 465.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16IN3O/c1-14(27)21-20(16-6-4-7-17(23)11-16)22(12-24,13-25)19-10-9-15-5-2-3-8-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20-,21-/m1/s1InChIKey
DKCVZBLBKCEBFF-NJDAHSKKSA-NSynonyms
294203-18-2(1S2S3aR)1acetyl2(3iodophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1ACETYL2(3IODOPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1ACETYL2(3IODOPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
294203182
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC=C4)I
InChI=1SC22H16IN3Oc114(27)2120(1664717(23)1116)22(12241325)1910915523818(15)26(19)21h2111921H1H3t192021m1s1
MFCD01244623
N#CC1(C#N)(C@H)(c2cccc(c2)I)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
ZINC000008427345
ZINC08427345
ZINC8427345
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