Vitas-M small molecule compound
(2S,3R,10bS)-1,1-dicyano-2-(2-fluorophenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide
Catalog ID
STK526200
SMILES N#CC1(C#N)[C@@H](c2ccccc2F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)N
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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 C21H15FN4O MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O/c22-16-8-4-3-7-15(16)17-18(20(25)27)26-10-9-13-5-1-2-6-14(13)19(26)21(17,11-23)12-24/h1-10,17-19H,(H2,25,27)/t17-,18+,19-/m0/s1InChIKey
QORXRGSJTNDETJ-OTWHNJEPSA-NSynonyms
302942-01-4(2S3R10bS)11dicyano2(2fluorophenyl)12310btetrahydropyrrolo(21a)isoquinoline3carboxamide
(2S3R10BS)11DICYANO2(2FLUOROPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE3CARBOXAMIDE
302942014
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)N)C4=CC=CC=C4F)(C#N)C#N
InChI=1SC21H15FN4Oc2216843715(16)1718(20(25)27)2610913512614(13)19(26)21(171123)1224h1101719H(H22527)t1718+19m0s1
N#CC1(C#N)(C@@H)(c2ccccc2F)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)N
ZINC000035366063
ZINC35366063
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