Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-(4-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746517
SMILES CCOc1ccc(cc1)[C@@H]1[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/c1-3-29-19-11-8-18(9-12-19)22-23(16(2)28)27-20-7-5-4-6-17(20)10-13-21(27)24(22,14-25)15-26/h4-13,21-23H,3H2,1-2H3/t21-,22-,23-/m1/s1InChIKey
KUIRFNZKEKEWLU-DNVJHFABSA-NSynonyms
(1S2S3aR)1acetyl2(4ethoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1ACETYL2(4ETHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1ACETYL2(4ETHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
CCOC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C
CCOc1ccc(cc1)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC24H21N3O2c13291911818(91219)2223(16(2)28)2720754617(20)101321(27)24(221425)1526h4132123H3H212H3t212223m1s1
MFCD01244639
ZINC000001051181
ZINC01051181
ZINC1051181
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