Vitas-M small molecule compound
(2R,3R)-3-[(4-chlorophenyl)carbonyl]-2-(naphthalen-1-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK370860
SMILES N#CC1(C#N)C2N([C@H]([C@@H]1c1cccc3c1cccc3)C(=O)c1ccc(cc1)Cl)C=Cc1c2cccc1
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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 C31H20ClN3O MW 485.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20ClN3O/c32-23-14-12-22(13-15-23)29(36)28-27(26-11-5-8-20-6-1-3-9-24(20)26)31(18-33,19-34)30-25-10-4-2-7-21(25)16-17-35(28)30/h1-17,27-28,30H/t27-,28+,30?/m0/s1InChIKey
XTQODOIVMNUMQX-VXLAJHQFSA-NSynonyms
(2R3R)3((4chlorophenyl)carbonyl)2(naphthalen1yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R)3(4chlorobenzoyl)2naphthalen1yl310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC6=CC=CC=C65)(C#N)C#N
InChI=1SC31H20ClN3Oc3223141222(131523)29(36)2827(26115820613924(20)26)31(18331934)30251042721(25)161735(28)30h117272830Ht2728+30?m0s1
N#CC1(C#N)C2N((C@H)((C@@H)1c1cccc3c1cccc3)C(=O)c1ccc(cc1)Cl)C=Cc1c2cccc1
ZINC000022611778
ZINC000022611780
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