Vitas-M small molecule compound
methyl [(5-phenyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
Catalog ID
STK721265
SMILES COC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1
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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 C22H19N3O2S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S2/c1-27-16(26)11-28-22-20-19(23-12-24-22)17-14-9-5-6-10-15(14)18(25-21(17)29-20)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3InChIKey
FCVSJKNOCDGHRO-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)C5=CC=CC=C5
InChI=1SC22H19N3O2S2c12716(26)1128222019(23122422)17149561015(14)18(2521(17)2920)137324813h247812H56911H21H3
methyl((5phenyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetate
methyl2((5phenyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)acetate
MFCD02986043
ZINC000009144466
ZINC09144466
ZINC9144466
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