Vitas-M small molecule compound
3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STL322917
SMILES N#CC1(C#N)C(c2ccccc2F)C(N2C1c1ccccc1C=C2)c1ccc(cc1C)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 C28H22FN3 MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3/c1-18-11-12-21(19(2)15-18)26-25(23-9-5-6-10-24(23)29)28(16-30,17-31)27-22-8-4-3-7-20(22)13-14-32(26)27/h3-15,25-27H,1-2H3InChIKey
QTHZGJIAEIEINR-UHFFFAOYSA-NSynonyms
(2S3R10bS)3(24dimethylphenyl)2(2fluorophenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
3(24DIMETHYLPHENYL)2(2FLUOROPHENYL)23DIHYDROPYRROLO(21A)ISOQUINOLINE11(10BH)DICARBONITRILE
3(24DIMETHYLPHENYL)2(2FLUOROPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
CC1=CC(=C(C=C1)C2C(C(C3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC=CC=C5F)C
InChI=1SC28H22FN3c118111221(19(2)1518)2625(239561024(23)29)28(16301731)2722843720(22)131432(26)27h3152527H12H3
MFCD28032011
N#CC1(C#N)(C@@H)(c2ccccc2F)(C@@H)(N2(C@H)1c1ccccc1C=C2)c1ccc(cc1C)C
ZINC000016037464
ZINC000226907505
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