Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK557631
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)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 C30H24N2O5 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O5/c1-19(33)37-23-15-12-22(13-16-23)28(34)27-26(21-9-4-3-5-10-21)30(18-31,29(35)36-2)25-17-14-20-8-6-7-11-24(20)32(25)27/h3-17,25-27H,1-2H3/t25-,26-,27+,30-/m0/s1InChIKey
BXOIXMNZYNGMCV-MHTMXISKSA-NSynonyms
1013769-72-6(1R2R3R3aS)methyl1(4acetoxybenzoyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1013769726
CC(=O)OC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C(=O)OC)C5=CC=CC=C5
COC(=O)(C@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
InChI=1SC30H24N2O5c119(33)3723151222(131623)28(34)2726(2194351021)30(183129(35)362)251714208671124(20)32(25)27h3172527H12H3t252627+30m0s1
methyl(1R2R3R3aS)1((4(acetyloxy)phenyl)carbonyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
METHYL(1R2R3R3AS)1(4ACETYLOXYBENZOYL)3CYANO2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
MFCD18243018
ZINC000009424805
ZINC09424805
ZINC9424805
Check stock
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Check stock on Vitas-MAvailable files
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