Vitas-M small molecule compound
methyl (1S,2S,3S)-3-cyano-1-[(3-nitrophenyl)carbonyl]-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK553770
SMILES COC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)[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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-36-27(33)28(17-29)23-15-14-18-8-5-6-13-22(18)30(23)25(24(28)19-9-3-2-4-10-19)26(32)20-11-7-12-21(16-20)31(34)35/h2-16,23-25H,1H3/t23?,24-,25+,28-/m1/s1InChIKey
VOTTZFITOVUVPP-UYZKLLHOSA-NSynonyms
1014081-11-8(1S2S3S)methyl3cyano1(3nitrobenzoyl)2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014081118
COC(=O)(C@@)1(C#N)(C@H)(c2ccccc2)(C@H)(N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N
InChI=1SC28H21N3O5c13627(33)28(1729)231514188561322(18)30(23)25(24(28)1993241019)26(32)201171221(1620)31(34)35h2162325H1H3t23?2425+28m1s1
methyl(1S2S3S)3cyano1((3nitrophenyl)carbonyl)2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)3cyano1(3nitrobenzoyl)2phenyl23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242743
ZINC000009461687
ZINC000009461689
Check stock
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Check stock on Vitas-MAvailable files
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