Vitas-M small molecule compound

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

Catalog ID
STK754097
SMILES N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@H]([C@@H]1c1cccs1)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 C23H21N3OS MW 387.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3OS/c1-22(2,3)21(27)19-18(17-9-6-12-28-17)23(13-24,14-25)20-16-8-5-4-7-15(16)10-11-26(19)20/h4-12,18-20H,1-3H3/t18-,19+,20-/m0/s1
InChIKey
AVMNBUDOFJBVKZ-ZCNNSNEGSA-N
Synonyms
293728-67-3
(2R3R10bS)3(22dimethylpropanoyl)2(thiophen2yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)3(22DIMETHYLPROPANOYL)2THIOPHEN2YL310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
(2R3R10bS)3pivaloyl2(thiophen2yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
293728673
CC(C)(C)C(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=CS4
InChI=1SC23H21N3OSc122(23)21(27)1918(1796122817)23(13241425)2016854715(16)101126(19)20h4121820H13H3t1819+20m0s1
MFCD13372056
N#CC1(C#N)(C@@H)2c3ccccc3C=CN2(C@H)((C@@H)1c1cccs1)C(=O)C(C)(C)C
ZINC000035366080
ZINC35366080

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Available files

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