Vitas-M small molecule compound

(1S,2S,3aR)-7-chloro-2-(4-fluorophenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK541036
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)F)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)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 C31H27ClFN3O MW 512.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClFN3O/c32-23-4-7-25-22(12-23)3-8-26-31(16-34,17-35)27(21-1-5-24(33)6-2-21)28(36(25)26)29(37)30-13-18-9-19(14-30)11-20(10-18)15-30/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27-,28+,30?/m1/s1
InChIKey
VAZDHWAZPIYUOX-VYOWOUGHSA-N
Synonyms
494791-92-3
(1S2S3aR)1((3S5S7S)adamantane1carbonyl)7chloro2(4fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(adamantane1carbonyl)7chloro2(4fluorophenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2S3aR)7chloro2(4fluorophenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(1ADAMANTYLCARBONYL)7CHLORO2(4FLUOROPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
494791923
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=C(C=C5)C=C(C=C6)Cl)(C#N)C#N)C7=CC=C(C=C7)F
InChI=1SC31H27ClFN3Oc3223472522(1223)382631(16341735)27(211524(33)6221)28(36(25)26)29(37)301318919(1430)1120(1018)1530h181218202628H9111315H2t18?19?20?262728+30?m1s1
N#CC1(C#N)(C@H)(c2ccc(cc2)F)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000008450990
ZINC08450990
ZINC8450990

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Available files

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