Vitas-M small molecule compound
2-{[5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Catalog ID
STL239691
SMILES O=C(Nc1ccccn1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)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 C23H23N5OS2 MW 449.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5OS2/c1-13(2)19-15-8-4-3-7-14(15)18-20-21(31-22(18)28-19)23(26-12-25-20)30-11-17(29)27-16-9-5-6-10-24-16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,24,27,29)InChIKey
AECBAPOEOQHXAG-UHFFFAOYSA-NSynonyms
497079-73-92((5(propan2yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)N(pyridin2yl)acetamide
2((5isopropyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)N(pyridin2yl)acetamide
497079739
CC(C)C1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC(=O)NC5=CC=CC=N5)SC3=N1
InChI=1SC23H23N5OS2c113(2)1915843714(15)182021(3122(18)2819)23(26122520)301117(29)2716956102416h569101213H347811H212H3(H242729)
MFCD03299549
ZINC000001302917
ZINC01302917
ZINC1302917
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