Vitas-M small molecule compound
methyl (1S,2S,3S)-2-(4-bromophenyl)-3-cyano-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK554229
SMILES COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
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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 C26H25BrN2O3 MW 493.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O3/c1-25(2,3)23(30)22-21(17-9-12-18(27)13-10-17)26(15-28,24(31)32-4)20-14-11-16-7-5-6-8-19(16)29(20)22/h5-14,20-22H,1-4H3/t20?,21-,22+,26-/m1/s1InChIKey
NFCBKSYVCVQJCE-WNJWJOMFSA-NSynonyms
1014083-30-7(1S2S3S)methyl2(4bromophenyl)3cyano1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014083307
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C(=O)OC)C4=CC=C(C=C4)Br
COC(=O)(C@@)1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC26H25BrN2O3c125(23)23(30)2221(1791218(27)131017)26(152824(31)324)20141116756819(16)29(20)22h5142022H14H3t20?2122+26m1s1
methyl(1S2S3S)2(4bromophenyl)3cyano1(22dimethylpropanoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)2(4bromophenyl)3cyano1(22dimethylpropanoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242783
ZINC000009465332
ZINC000009465334
Check stock
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Check stock on Vitas-MAvailable files
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