Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757882
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCC2
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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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-32-25(31)21-15-7-2-3-10-19(15)33-24(21)29-17-8-4-9-18(30)22(17)20(16(12-26)23(29)27)14-6-5-11-28-13-14/h5-6,11,13,20H,2-4,7-10,27H2,1H3InChIKey
ZVCGWOAPIPNASA-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4
InChI=1SC25H24N4O3Sc13225(31)21157231019(15)3324(21)291784918(30)22(17)20(16(1226)23(29)27)146511281314h56111320H2471027H21H3
methyl2(2amino3cyano5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino3cyano5oxo4pyridin3yl4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01305219
ZINC000001060047
ZINC000001060050
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