Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-ethoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746511
SMILES CCOc1ccc(cc1)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=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 C33H33N3O2 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O2/c1-2-38-26-10-7-25(8-11-26)29-30(31(37)32-16-21-13-22(17-32)15-23(14-21)18-32)36-27-6-4-3-5-24(27)9-12-28(36)33(29,19-34)20-35/h3-12,21-23,28-30H,2,13-18H2,1H3/t21?,22?,23?,28-,29-,30+,32?/m1/s1InChIKey
WSJMPKTWOKZJSB-QBRBYCADSA-NSynonyms
(1S2S3AR)1(ADAMANTANE1CARBONYL)2(4ETHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4ethoxyphenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1((3r5r7r)adamantane1carbonyl)2(4ethoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
CCOC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6
CCOc1ccc(cc1)(C@@H)1(C@H)(N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
CCOc1ccc(cc1)C1C(N2C(C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC33H33N3O2c12382610725(81126)2930(31(37)3216211322(1732)1523(1421)1832)3627643524(27)91228(36)33(291934)2035h31221232830H21318H21H3t21?22?23?282930+32?m1s1
MFCD03107336
ZINC000009082939
ZINC09082939
ZINC9082939
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