Vitas-M small molecule compound
(2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophen-2-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK754073
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1cccs1
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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)21-22(23(30)20-6-3-13-31-20)29-12-11-16-4-1-2-5-19(16)24(29)25(21,14-27)15-28/h1-13,21-22,24H/t21-,22+,24-/m0/s1InChIKey
KHTWMFGHUATBSM-ZDXQCDESSA-NSynonyms
293728-50-4(2R3R10bS)2(4fluorophenyl)3(thiophen2ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)2(4fluorophenyl)3(thiophene2carbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)2(4FLUOROPHENYL)3(THIOPHENE2CARBONYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
293728504
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F)(C#N)C#N
InChI=1SC25H16FN3OSc26189717(81018)2122(23(30)2063133120)29121116412519(16)24(29)25(211427)1528h113212224Ht2122+24m0s1
MFCD13372045
N#CC1(C#N)(C@@H)(c2ccc(cc2)F)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)c1cccs1
ZINC000020507154
ZINC20507154
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