Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509533
SMILES CCCOc1ccccc1C1Oc2nc(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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-13-28-18-12-8-6-10-16(18)21-26(14(2)27)17-11-7-5-9-15(17)19-20(29-21)23-22(30-3)25-24-19/h5-12,21H,4,13H2,1-3H3InChIKey
LZAXAOWSROGEFC-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(2propoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3methylsulfanyl6(2propoxyphenyl)6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC22H22N4O3Sc1413281812861016(18)2126(14(2)27)171175915(17)1920(2921)2322(303)252419h51221H413H213H3
MFCD02376440
ZINC000008590056
ZINC000008590057
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