Vitas-M small molecule compound
(2R,3R,10bS)-3-acetyl-2-(4-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK754086
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)F)[C@@H](N2[C@H]1c1ccccc1C=C2)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 C22H16FN3O MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O/c1-14(27)20-19(16-6-8-17(23)9-7-16)22(12-24,13-25)21-18-5-3-2-4-15(18)10-11-26(20)21/h2-11,19-21H,1H3/t19-,20-,21-/m0/s1InChIKey
NURNUALDLDBKNZ-ACRUOGEOSA-NSynonyms
293728-59-3(2R3R10bS)3acetyl2(4fluorophenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)3ACETYL2(4FLUOROPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
293728593
CC(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)F
InChI=1SC22H16FN3Oc114(27)2019(166817(23)9716)22(12241325)2118532415(18)101126(20)21h2111921H1H3t192021m0s1
MFCD13372050
N#CC1(C#N)(C@@H)(c2ccc(cc2)F)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C
ZINC000035366045
ZINC35366045
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