Vitas-M small molecule compound
methyl (1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK554643
SMILES COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[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 C28H30N2O5 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5/c1-27(2,3)25(31)24-23(18-11-13-20(33-4)21(15-18)34-5)28(16-29,26(32)35-6)22-14-12-17-9-7-8-10-19(17)30(22)24/h7-15,22-24H,1-6H3/t22?,23-,24+,28-/m1/s1InChIKey
QEODSQBXJJSVHX-IDJIOEGCSA-NSynonyms
1013748-48-5(1S2S3S)methyl3cyano2(34dimethoxyphenyl)1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1013748485
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C(=O)OC)C4=CC(=C(C=C4)OC)OC
COC(=O)(C@@)1(C#N)(C@H)(c2ccc(c(c2)OC)OC)(C@H)(N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC28H30N2O5c127(23)25(31)2423(18111320(334)21(1518)345)28(162926(32)356)221412179781019(17)30(22)24h7152224H16H3t22?2324+28m1s1
methyl(1S2S3S)3cyano2(34dimethoxyphenyl)1(22dimethylpropanoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)3cyano2(34dimethoxyphenyl)1(22dimethylpropanoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242814
ZINC000009462832
ZINC000009462833
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.