Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-[4-(prop-2-en-1-yloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509124
SMILES C=CCOc1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-4-13-28-16-11-9-15(10-12-16)21-26(14(2)27)18-8-6-5-7-17(18)19-20(29-21)23-22(30-3)25-24-19/h4-12,21H,1,13H2,2-3H3InChIKey
AVHKAPNQTJIMCD-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(4(prop2en1yloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(4PROP2ENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)OCC=C
InChI=1SC22H20N4O3Sc1413281611915(101216)2126(14(2)27)18865717(18)1920(2921)2322(303)252419h41221H113H223H3
MFCD01929857
ZINC000002073805
ZINC000002073806
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