Vitas-M small molecule compound
4-bromo-3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STK979841
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(O)ccc1Br
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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 C20H19BrN4O2S MW 459.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O2S/c1-2-3-10-28-20-23-19-17(24-25-20)13-6-4-5-7-16(13)22-18(27-19)14-11-12(26)8-9-15(14)21/h4-9,11,18,22,26H,2-3,10H2,1H3InChIKey
WJYOMWFJJJNDCC-UHFFFAOYSA-NSynonyms
4bromo3(3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
4BROMO3(3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)O)Br)N=N1
InChI=1SC20H19BrN4O2Sc123102820231917(242520)13645716(13)2218(2719)141112(26)8915(14)21h4911182226H2310H21H3
MFCD02242688
ZINC000002083712
ZINC000002083713
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