Vitas-M small molecule compound
methyl (1S,2S,3S)-1-acetyl-3-cyano-7-methoxy-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK541583
SMILES COc1ccc2c(c1)C=CC1N2[C@H](C(=O)C)[C@H]([C@]1(C#N)C(=O)OC)c1ccc(cc1)[N+](=O)[O-]
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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 C24H21N3O6 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6/c1-14(28)22-21(15-4-7-17(8-5-15)27(30)31)24(13-25,23(29)33-3)20-11-6-16-12-18(32-2)9-10-19(16)26(20)22/h4-12,20-22H,1-3H3/t20?,21-,22-,24-/m1/s1InChIKey
FROGISDDCMUVBR-UIIWDNNXSA-NSynonyms
956929-90-1(1S2S3S)methyl1acetyl3cyano7methoxy2(4nitrophenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956929901
CC(=O)C1C(C(C2N1C3=C(C=C2)C=C(C=C3)OC)(C#N)C(=O)OC)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc2c(c1)C=CC1N2(C@H)(C(=O)C)(C@H)((C@)1(C#N)C(=O)OC)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H21N3O6c114(28)2221(154717(8515)27(30)31)24(132523(29)333)20116161218(322)91019(16)26(20)22h4122022H13H3t20?212224m1s1
methyl(1S2S3S)1acetyl3cyano7methoxy2(4nitrophenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)1acetyl3cyano7methoxy2(4nitrophenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18241913
ZINC000009019521
ZINC000009197209
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.