Vitas-M small molecule compound

(1S,2S,3aR)-7-chloro-2-(4-methoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK526306
SMILES COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2ccc(c1)Cl

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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 C28H20ClN3O2 MW 465.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O2/c1-34-22-11-7-18(8-12-22)25-26(27(33)19-5-3-2-4-6-19)32-23-13-10-21(29)15-20(23)9-14-24(32)28(25,16-30)17-31/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1
InChIKey
RAOSMWNARABGBG-CYXNTTPDSA-N
Synonyms
302941-92-0
(1S2S3aR)1benzoyl7chloro2(4methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1BENZOYL7CHLORO2(4METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)7chloro2(4methoxyphenyl)1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1BENZOYL7CHLORO2(4METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
302941920
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)(C1(C#N)C#N)C=Cc1c2ccc(c1)Cl
InChI=1SC28H20ClN3O2c1342211718(81222)2526(27(33)195324619)3223131021(29)1520(23)91424(32)28(251630)1731h2152426H1H3t242526+m1s1
ZINC000003176831
ZINC03176831
ZINC3176831

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Available files

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