Vitas-M small molecule compound
(1S,2R,3aR)-1-acetyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746515
SMILES COc1ccccc1[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 C23H19N3O2 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O2/c1-15(27)22-21(17-8-4-6-10-19(17)28-2)23(13-24,14-25)20-12-11-16-7-3-5-9-18(16)26(20)22/h3-12,20-22H,1-2H3/t20-,21-,22-/m1/s1InChIKey
OTQACOQMALUWFM-YPAWHYETSA-NSynonyms
(1S2R3AR)1ACETYL2(2METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2R3AR)1ACETYL2(2METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1ACETYL2(2METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4OC
COc1ccccc1(C@@H)1(C@@H)(C(=O)C)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC23H19N3O2c115(27)2221(178461019(17)282)23(13241425)20121116735918(16)26(20)22h3122022H12H3t202122m1s1
MFCD01465287
ZINC000004119043
ZINC04119043
ZINC4119043
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