Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-chlorophenyl)-1-[(4-ethoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK526236
SMILES CCOc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)Cl)(C#N)C#N
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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 C29H22ClN3O2 MW 479.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O2/c1-2-35-23-14-9-21(10-15-23)28(34)27-26(20-7-12-22(30)13-8-20)29(17-31,18-32)25-16-11-19-5-3-4-6-24(19)33(25)27/h3-16,25-27H,2H2,1H3/t25-,26-,27+/m1/s1InChIKey
AITQXHBVPHJRQR-PFBJBMPXSA-NSynonyms
307344-34-9(1S2S3aR)2(4chlorophenyl)1((4ethoxyphenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(4chlorophenyl)1(4ethoxybenzoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(4chlorophenyl)1(4ethoxybenzoyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
307344349
CCOC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=C(C=C5)Cl
CCOc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1ccc(cc1)Cl)(C#N)C#N
InChI=1SC29H22ClN3O2c12352314921(101523)28(34)2726(2071222(30)13820)29(17311832)25161119534624(19)33(25)27h3162527H2H21H3t252627+m1s1
ZINC000009183427
ZINC09183427
ZINC9183427
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