Vitas-M small molecule compound
4-[(1S,2S,3aR)-7-chloro-3,3-dicyano-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-2-yl]phenyl acetate
Catalog ID
STK746512
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)OC(=O)C)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)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 C29H20ClN3O3 MW 493.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN3O3/c1-18(34)36-23-11-7-19(8-12-23)26-27(28(35)20-5-3-2-4-6-20)33-24-13-10-22(30)15-21(24)9-14-25(33)29(26,16-31)17-32/h2-15,25-27H,1H3/t25-,26-,27+/m1/s1InChIKey
CAVKKIXMARFHNL-PFBJBMPXSA-NSynonyms
(4((1S2S3AR)1BENZOYL7CHLORO33DICYANO23ADIHYDRO1HPYRROLO(12A)QUINOLIN2YL)PHENYL)ACETATE
4((1S2S3aR)7chloro33dicyano1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinolin2yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5
InChI=1SC29H20ClN3O3c118(34)362311719(81223)2627(28(35)205324620)3324131022(30)1521(24)91425(33)29(261631)1732h2152527H1H3t252627+m1s1
MFCD01244620
N#CC1(C#N)(C@H)(c2ccc(cc2)OC(=O)C)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)c1ccccc1
ZINC000008427342
ZINC08427342
ZINC8427342
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