Vitas-M small molecule compound
(2R,3R,10bS)-3-(thiophen-2-ylcarbonyl)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK754075
SMILES N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@H]([C@@H]1c1ccccc1C(F)(F)F)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 C26H16F3N3OS MW 475.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16F3N3OS/c27-26(28,29)19-9-4-3-8-18(19)21-22(23(33)20-10-5-13-34-20)32-12-11-16-6-1-2-7-17(16)24(32)25(21,14-30)15-31/h1-13,21-22,24H/t21-,22+,24-/m0/s1InChIKey
AHAUWSBFHACHJO-ZDXQCDESSA-NSynonyms
(2R3R10BS)3(THIOPHEN2YLCARBONYL)2(2(TRIFLUOROMETHYL)PHENYL)23DIHYDROPYRROLO(21A)ISOQUINOLINE11(10BH)DICARBONITRILE
(2R3R10BS)3(THIOPHENE2CARBONYL)2(2(TRIFLUOROMETHYL)PHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)C4=CC=CS4)C5=CC=CC=C5C(F)(F)F)(C#N)C#N
InChI=1SC26H16F3N3OSc2726(2829)19943818(19)2122(23(33)20105133420)32121116612717(16)24(32)25(211430)1531h113212224Ht2122+24m0s1
MFCD13372046
N#CC1(C#N)(C@@H)2c3ccccc3C=CN2(C@H)((C@@H)1c1ccccc1C(F)(F)F)C(=O)c1cccs1
ZINC000013362145
ZINC13362145
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