Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-chloro-3-nitrophenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK675955
SMILES N#CC1(C#N)[C@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[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 C31H27ClN4O3 MW 539.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O3/c32-23-7-5-22(12-25(23)36(38)39)27-28(29(37)30-13-18-9-19(14-30)11-20(10-18)15-30)35-24-4-2-1-3-21(24)6-8-26(35)31(27,16-33)17-34/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27-,28+,30?/m1/s1InChIKey
ZWZFGQHGSRWQTE-VYOWOUGHSA-NSynonyms
(1S2S3AR)1(ADAMANTANE1CARBONYL)2(4CHLORO3NITROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4chloro3nitrophenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=CC(=C(C=C7)Cl)(N+)(=O)(O)
InChI=1SC31H27ClN4O3c32237522(1225(23)36(38)39)2728(29(37)301318919(1430)1120(1018)1530)3524421321(24)6826(35)31(271633)1734h181218202628H9111315H2t18?19?20?262728+30?m1s1
MFCD18246868
N#CC1(C#N)(C@H)(c2ccc(c(c2)(N+)(=O)(O))Cl)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000008448506
ZINC08448506
ZINC8448506
Check stock
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Check stock on Vitas-MAvailable files
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