Vitas-M small molecule compound
ethyl (2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)acetate
Catalog ID
STK933875
SMILES CCOC(=O)Cn1c(=O)n2nc(nc2c2c1sc1c2CCCC1)Cc1ccccc1
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-29-18(27)13-25-21-19(15-10-6-7-11-16(15)30-21)20-23-17(24-26(20)22(25)28)12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3InChIKey
JYRBNJSKMWGWCB-UHFFFAOYSA-NSynonyms
951986-27-9951986279
CCOC(=O)CN1C2=C(C3=C(S2)CCCC3)C4=NC(=NN4C1=O)CC5=CC=CC=C5
ethyl(2benzyl5oxo891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin6(5H)yl)acetate
ethyl2(2benzyl5oxo891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin6(5H)yl)acetate
InChI=1SC22H22N4O3Sc122918(27)13252119(1510671116(15)3021)202317(2426(20)22(25)28)12148435914h3589H2671013H21H3
MFCD09855141
ZINC000013721420
ZINC13721420
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