Vitas-M small molecule compound
(2S,3R,10bS)-2-(thiophen-3-yl)-3-(thiophen-2-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK754074
SMILES N#CC1(C#N)[C@H]2N([C@H]([C@@H]1c1ccsc1)C(=O)c1cccs1)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 C23H15N3OS2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3OS2/c24-13-23(14-25)19(16-8-11-28-12-16)20(21(27)18-6-3-10-29-18)26-9-7-15-4-1-2-5-17(15)22(23)26/h1-12,19-20,22H/t19-,20+,22-/m0/s1InChIKey
MANGFGHGCHDVHO-VWPQPMDRSA-NSynonyms
(2S3R10BS)2(THIOPHEN3YL)3(THIOPHEN2YLCARBONYL)23DIHYDROPYRROLO(21A)ISOQUINOLINE11(10BH)DICARBONITRILE
(2S3R10BS)3(THIOPHENE2CARBONYL)2THIOPHEN3YL310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)C4=CC=CS4)C5=CSC=C5)(C#N)C#N
InChI=1SC23H15N3OS2c241323(1425)19(16811281216)20(21(27)1863102918)269715412517(15)22(23)26h112192022Ht1920+22m0s1
MFCD01244707
N#CC1(C#N)(C@H)2N((C@H)((C@@H)1c1ccsc1)C(=O)c1cccs1)C=Cc1c2cccc1
ZINC000019817756
ZINC19817756
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