Vitas-M small molecule compound
ethyl {[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}acetate
Catalog ID
STK539539
SMILES CCOC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)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 C22H25N5O2S2 MW 455.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S2/c1-4-29-16(28)10-30-22-26-25-20-19-18(23-11-27(20)22)17-14-8-6-5-7-13(14)15(9-12(2)3)24-21(17)31-19/h11-12H,4-10H2,1-3H3InChIKey
ZOWSHTSJVHTDHU-UHFFFAOYSA-NSynonyms
371223-64-2371223642
CCOC(=O)CSC1=NN=C2N1C=NC3=C2SC4=NC(=C5CCCCC5=C34)CC(C)C
ethyl((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetate
ethyl2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)acetate
InChI=1SC22H25N5O2S2c142916(28)1030222625201918(231127(20)22)1714865713(14)15(912(2)3)2421(17)3119h1112H410H213H3
MFCD03010339
ZINC000001245257
ZINC01245257
ZINC1245257
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