Vitas-M small molecule compound
(1S,2S,3aR)-2-(3-iodophenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK667966
SMILES N#CC1(C#N)[C@H](c2cccc(c2)I)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C31H28IN3O MW 585.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28IN3O/c32-24-6-3-5-23(13-24)27-28(29(36)30-14-19-10-20(15-30)12-21(11-19)16-30)35-25-7-2-1-4-22(25)8-9-26(35)31(27,17-33)18-34/h1-9,13,19-21,26-28H,10-12,14-16H2/t19?,20?,21?,26-,27-,28+,30?/m1/s1InChIKey
ONDQQUSADRLJNN-NBKNYSPXSA-NSynonyms
(1S2S3AR)1(ADAMANTANE1CARBONYL)2(3IODOPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(3iodophenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(1ADAMANTYLCARBONYL)2(3IODOPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=CC(=CC=C7)I
InChI=1SC31H28IN3Oc322463523(1324)2728(29(36)3014191020(1530)1221(1119)1630)3525721422(25)8926(35)31(271733)1834h191319212628H10121416H2t19?20?21?262728+30?m1s1
MFCD01831561
N#CC1(C#N)(C@H)(c2cccc(c2)I)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000008427312
ZINC08427312
ZINC8427312
Check stock
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Check stock on Vitas-MAvailable files
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