Vitas-M small molecule compound
ethyl [(11-propyl-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
STK721664
SMILES CCOC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CCC
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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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-3-7-14-12-8-5-6-9-13(12)16-17-18(30-20(16)23-14)19-24-25-21(26(19)11-22-17)29-10-15(27)28-4-2/h11H,3-10H2,1-2H3InChIKey
JPYZMJWCXLIVMU-UHFFFAOYSA-NSynonyms
840460-22-2840460222
CCCC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)OCC)SC3=N1
ethyl((11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetate
ethyl2((11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)acetate
InChI=1SC21H23N5O2S2c1371412856913(12)161718(3020(16)2314)19242521(26(19)112217)291015(27)2842h11H310H212H3
MFCD03695035
ZINC000009461325
ZINC09461325
ZINC9461325
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