Vitas-M small molecule compound
(3R,10bS)-3-[(4-fluorophenyl)carbonyl]-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK525154
SMILES N#CC1(C#N)C(c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)F
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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 C25H16FN3OS MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3OS/c26-18-9-7-17(8-10-18)23(30)22-21(20-6-3-13-31-20)25(14-27,15-28)24-19-5-2-1-4-16(19)11-12-29(22)24/h1-13,21-22,24H/t21?,22-,24+/m1/s1InChIKey
QZNUVBSFMIMCKU-MKXPUETBSA-NSynonyms
303179-80-8(3R10bS)3((4fluorophenyl)carbonyl)2(thiophen2yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(3R10bS)3(4fluorobenzoyl)2(thiophen2yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(3R10bS)3(4fluorobenzoyl)2thiophen2yl310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
303179808
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CC=CS5)(C#N)C#N
InChI=1SC25H16FN3OSc26189717(81018)23(30)2221(2063133120)25(14271528)2419521416(19)111229(22)24h113212224Ht21?2224+m1s1
MFCD18241540
N#CC1(C#N)C(c2cccs2)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)c1ccc(cc1)F
ZINC000020814322
ZINC000020814325
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