Vitas-M small molecule compound
ethyl [(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
Catalog ID
STK832777
SMILES CCOC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CC
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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/c1-3-13-11-7-5-6-8-12(11)15-16-17(26-18(15)22-13)19(21-10-20-16)25-9-14(23)24-4-2/h10H,3-9H2,1-2H3InChIKey
IKFKJTDWZCNYLZ-UHFFFAOYSA-NSynonyms
CCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC(=O)OCC)SC3=N1
ethyl((5ethyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetate
ethyl2((5ethyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)acetate
InChI=1SC19H21N3O2S2c131311756812(11)151617(2618(15)2213)19(21102016)25914(23)2442h10H39H212H3
MFCD01960501
ZINC000002290041
ZINC02290041
ZINC2290041
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