Vitas-M small molecule compound

methyl [(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate

Catalog ID
STK721325
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)OC

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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 C19H21N3O2S2 MW 387.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2S2/c1-3-6-13-11-7-4-5-8-12(11)15-16-17(26-18(15)22-13)19(21-10-20-16)25-9-14(23)24-2/h10H,3-9H2,1-2H3
InChIKey
AJRGAWIJQSLWPZ-UHFFFAOYSA-N
Synonyms
384801-78-9
384801789
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC(=O)OC)SC3=N1
InChI=1SC19H21N3O2S2c1361311745812(11)151617(2618(15)2213)19(21102016)25914(23)242h10H39H212H3
methyl((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetate
methyl2((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)acetate
MFCD02242049
ZINC000001245552
ZINC01245552
ZINC1245552

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.