Vitas-M small molecule compound
1-[6-(5-bromo-2-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509317
SMILES CSc1nnc2c(n1)OC(c1cc(Br)ccc1OC)N(c1c2cccc1)C(=O)C
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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)14-10-12(21)8-9-16(14)27-2/h4-10,19H,1-3H3InChIKey
YHQGUVUHYGCXBQ-UHFFFAOYSA-NSynonyms
1(6(5bromo2methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMO2METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)Br)OC
InChI=1SC20H17BrN4O3Sc111(26)2515754613(15)1718(2220(293)242317)2819(25)141012(21)8916(14)272h41019H13H3
MFCD02376405
ZINC000002874280
ZINC000002874281
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Check stock on Vitas-MAvailable files
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