Vitas-M small molecule compound

2-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Catalog ID
STL169826
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)OC)O

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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-3-4-7-12-30-22-24-21-19(25-26-22)15-8-5-6-9-16(15)23-20(29-21)14-10-11-17(27)18(13-14)28-2/h5-6,8-11,13,20,23,27H,3-4,7,12H2,1-2H3
InChIKey
YIFNOKGSRADKHD-UHFFFAOYSA-N
Synonyms

2methoxy4(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2methoxy4(3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)O)OC)N=N1
InChI=1SC22H24N4O3Sc1347123022242119(252622)15856916(15)2320(2921)14101117(27)18(1314)282h5681113202327H34712H212H3
MFCD01647913
ZINC000002742861
ZINC000002742862

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Available files

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