Vitas-M small molecule compound
2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Catalog ID
STK689127
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1
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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 C27H23N5O3S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S/c28-11-16-22(15-4-5-20-21(10-15)35-13-34-20)24-18(2-1-3-19(24)33)32(25(16)30)26-17(12-29)23-14-6-8-31(9-7-14)27(23)36-26/h4-5,10,14,22H,1-3,6-9,13,30H2InChIKey
ASLFRLMOORIYNI-UHFFFAOYSA-NSynonyms
2(2amino4(13benzodioxol5yl)3cyano5oxo5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C4=C(S3)N5CCC4CC5)C#N)N)C#N)C6=CC7=C(C=C6)OCO7)C(=O)C1
InChI=1SC27H23N5O3Sc28111622(15452021(1015)35133420)2418(21319(24)33)32(25(16)30)2617(1229)23146831(9714)27(23)3626h45101422H13691330H2
MFCD07800601
ZINC000012375076
ZINC000012375077
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