Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-phenyl-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK542494
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccccc1
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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 C28H22N2O3 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O3/c1-33-27(32)28(18-29)23-17-16-19-10-8-9-15-22(19)30(23)25(24(28)20-11-4-2-5-12-20)26(31)21-13-6-3-7-14-21/h2-17,23-25H,1H3/t23-,24-,25+,28-/m0/s1InChIKey
GMZMLOLHVDAHTM-CDILPITASA-NSynonyms
1014060-30-0(1R2R3R3aS)methyl1benzoyl3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014060300
COC(=O)(C@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C#N
InChI=1SC28H22N2O3c13327(32)28(1829)2317161910891522(19)30(23)25(24(28)20114251220)26(31)21136371421h2172325H1H3t232425+28m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2phenyl23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2phenyl1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242002
ZINC000009379667
ZINC09379667
ZINC9379667
Check stock
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Check stock on Vitas-MAvailable files
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