Vitas-M small molecule compound
1-{6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK980044
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Br)ccc1OCc1ccccc1)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 C29H27BrN4O3S MW 591.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN4O3S/c1-3-4-16-38-29-31-27-26(32-33-29)22-12-8-9-13-24(22)34(19(2)35)28(37-27)23-17-21(30)14-15-25(23)36-18-20-10-6-5-7-11-20/h5-15,17,28H,3-4,16,18H2,1-2H3InChIKey
FZOWFRRAEDHQSJ-UHFFFAOYSA-NSynonyms
1(6(2(benzyloxy)5bromophenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMO2PHENYLMETHOXYPHENYL)3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2(BENZYLOXY)5BROMOPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C(=O)C)N=N1
InChI=1SC29H27BrN4O3Sc134163829312726(323329)2212891324(22)34(19(2)35)28(3727)231721(30)141525(23)361820106571120h5151728H341618H212H3
MFCD02326668
ZINC000002094764
ZINC000002094766
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