Vitas-M small molecule compound
(1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK757371
SMILES N#CC1(C#N)[C@H](c2ccc(c(c2)OC)OC)[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 C33H33N3O3 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O3/c1-38-26-9-7-24(14-27(26)39-2)29-30(31(37)32-15-20-11-21(16-32)13-22(12-20)17-32)36-25-6-4-3-5-23(25)8-10-28(36)33(29,18-34)19-35/h3-10,14,20-22,28-30H,11-13,15-17H2,1-2H3/t20?,21?,22?,28-,29-,30+,32?/m1/s1InChIKey
NVLYZQNVGIFIPK-MSVKWORNSA-NSynonyms
293320-09-9(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(34dimethoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1(ADAMANTANE1CARBONYL)2(34DIMETHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(34dimethoxyphenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293320099
COC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6)OC
InChI=1SC33H33N3O3c138269724(1427(26)392)2930(31(37)3215201121(1632)1322(1220)1732)3625643523(25)81028(36)33(291834)1935h3101420222830H11131517H212H3t20?21?22?282930+32?m1s1
N#CC1(C#N)(C@H)(c2ccc(c(c2)OC)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000034255174
ZINC34255174
Check stock
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