Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK746514
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C
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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(17-7-10-18(28-2)11-8-17)23(13-24,14-25)20-12-9-16-5-3-4-6-19(16)26(20)22/h3-12,20-22H,1-2H3/t20-,21-,22-/m1/s1InChIKey
WTBFRVSQYZMMHZ-YPAWHYETSA-NSynonyms
(1S2S3AR)1ACETYL2(4METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2S3AR)1ACETYL2(4METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)OC
InChI=1SC23H19N3O2c115(27)2221(1771018(282)11817)23(13241425)2012916534619(16)26(20)22h3122022H12H3t202122m1s1
MFCD01244624
N#CC1(C#N)(C@H)(c2ccc(cc2)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
ZINC000001051176
ZINC01051176
ZINC1051176
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