Vitas-M small molecule compound
1-[6-(3-bromo-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509369
SMILES COc1ccc(cc1Br)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 C20H17BrN4O3S MW 473.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3S/c1-11(26)25-15-7-5-4-6-13(15)17-18(22-20(29-3)24-23-17)28-19(25)12-8-9-16(27-2)14(21)10-12/h4-10,19H,1-3H3InChIKey
SDGZSCRQLCWSPV-UHFFFAOYSA-NSynonyms
1(6(3bromo4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMO4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OC)Br
InChI=1SC20H17BrN4O3Sc111(26)2515754613(15)1718(2220(293)242317)2819(25)128916(272)14(21)1012h41019H13H3
MFCD02376415
ZINC000001171686
ZINC000001171687
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