Vitas-M small molecule compound
6-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169889
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OC)OCc1ccccc1
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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 C28H27BrN4O3S MW 579.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN4O3S/c1-3-4-14-37-28-31-27-24(32-33-28)20-12-8-9-13-22(20)30-26(36-27)19-15-21(29)25(23(16-19)34-2)35-17-18-10-6-5-7-11-18/h5-13,15-16,26,30H,3-4,14,17H2,1-2H3InChIKey
HFBJBZUACACSAQ-UHFFFAOYSA-NSynonyms
353767-16-5353767165
6(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3bromo5methoxyphenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)N=N1
InChI=1SC28H27BrN4O3Sc134143728312724(323328)2012891322(20)3026(3627)191521(29)25(23(1619)342)351718106571118h51315162630H341417H212H3
MFCD01834928
ZINC000002745760
ZINC000002745761
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