Vitas-M small molecule compound
(1S,3aR)-1-acetyl-2-(2-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL003593
SMILES CCOc1ccccc1C1[C@@H](C(=O)C)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1
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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 C24H21N3O2 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O2/c1-3-29-20-11-7-5-9-18(20)22-23(16(2)28)27-19-10-6-4-8-17(19)12-13-21(27)24(22,14-25)15-26/h4-13,21-23H,3H2,1-2H3/t21-,22?,23-/m1/s1InChIKey
GBJWABJKOOVKKW-OJVMETQDSA-NSynonyms
957496-20-7(1S3aR)1acetyl2(2ethoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S3aR)1acetyl2(2ethoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
1ACETYL2(2ETHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
957496207
CCOC1=CC=CC=C1C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C
CCOc1ccccc1C1(C@@H)(C(=O)C)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC24H21N3O2c1329201175918(20)2223(16(2)28)27191064817(19)121321(27)24(221425)1526h4132123H3H212H3t2122?23m1s1
ZINC000004450368
ZINC000004450369
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