Vitas-M small molecule compound
ethyl {[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetate
Catalog ID
STK721380
SMILES CCOC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CC(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 C21H25N3O2S2 MW 415.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S2/c1-4-26-16(25)10-27-21-19-18(22-11-23-21)17-14-8-6-5-7-13(14)15(9-12(2)3)24-20(17)28-19/h11-12H,4-10H2,1-3H3InChIKey
ZZHNKDQNLOJLDD-UHFFFAOYSA-NSynonyms
370573-47-0370573470
CCOC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)CC(C)C
ethyl((5(2methylpropyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetate
ethyl2((5isobutyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)acetate
InChI=1SC21H25N3O2S2c142616(25)1027211918(22112321)1714865713(14)15(912(2)3)2420(17)2819h1112H410H213H3
MFCD03011033
ZINC000001757155
ZINC01757155
ZINC1757155
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