Vitas-M small molecule compound
ethyl {2-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Catalog ID
STK979932
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1OCC(=O)OCC
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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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-3-5-10-15-34-25-27-24-22(28-29-25)17-11-6-8-13-19(17)26-23(33-24)18-12-7-9-14-20(18)32-16-21(30)31-4-2/h6-9,11-14,23,26H,3-5,10,15-16H2,1-2H3InChIKey
CAQQOSRXTUYCSN-UHFFFAOYSA-NSynonyms
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC(=O)OCC)N=N1
ethyl(2(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenoxy)acetate
ETHYL2(2(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOXY)ACETATE
InChI=1SC25H28N4O4Sc13510153425272422(282925)1711681319(17)2623(3324)1812791420(18)321621(30)3142h6911142326H35101516H212H3
MFCD01647968
ZINC000002084677
ZINC000002084678
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