Vitas-M small molecule compound

(2R,3R,10bS)-2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Catalog ID
STK754985
SMILES N#CC1(C#N)[C@@H](c2ccc(c(c2)Cl)Cl)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)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 C25H21Cl2N3O MW 450.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O/c1-24(2,3)23(31)21-20(16-8-9-18(26)19(27)12-16)25(13-28,14-29)22-17-7-5-4-6-15(17)10-11-30(21)22/h4-12,20-22H,1-3H3/t20-,21+,22-/m0/s1
InChIKey
XVERWQSDAAZUSZ-BDTNDASRSA-N
Synonyms
293312-96-6
(2R3R10bS)2(34dichlorophenyl)3(22dimethylpropanoyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)2(34DICHLOROPHENYL)3(22DIMETHYLPROPANOYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
(2R3R10bS)2(34dichlorophenyl)3pivaloyl23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
293312966
CC(C)(C)C(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC25H21Cl2N3Oc124(23)23(31)2120(168918(26)19(27)1216)25(13281429)2217754615(17)101130(21)22h4122022H13H3t2021+22m0s1
MFCD13372077
N#CC1(C#N)(C@@H)(c2ccc(c(c2)Cl)Cl)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C(C)(C)C
ZINC000035366039
ZINC35366039

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Available files

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