Vitas-M small molecule compound
2-(4-methoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL334602
SMILES N#CC1(C#N)C(c2ccc(cc2)OC)C(N2C1C=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 C32H31N3O2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2/c1-37-25-9-6-24(7-10-25)28-29(30(36)31-15-20-12-21(16-31)14-22(13-20)17-31)35-26-5-3-2-4-23(26)8-11-27(35)32(28,18-33)19-34/h2-11,20-22,27-29H,12-17H2,1H3InChIKey
NYYAWSINHFPGQF-UHFFFAOYSA-NSynonyms
1005046-72-91((3r5r7r)adamantane1carbonyl)2(4methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(ADAMANTANE1CARBONYL)2(4METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1005046729
2(4methoxyphenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6
InChI=1SC32H31N3O2c137259624(71025)2829(30(36)3115201221(1631)1422(1320)1731)3526532423(26)81127(35)32(281833)1934h21120222729H1217H21H3
ZINC000009272562
ZINC000013583712
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