Vitas-M small molecule compound
2-bromo-6-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STK979920
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OC)O
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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 C22H23BrN4O3S MW 503.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O3S/c1-3-4-7-10-31-22-25-21-18(26-27-22)14-8-5-6-9-16(14)24-20(30-21)13-11-15(23)19(28)17(12-13)29-2/h5-6,8-9,11-12,20,24,28H,3-4,7,10H2,1-2H3InChIKey
IEXANLHJVPKOBV-UHFFFAOYSA-NSynonyms
352693-74-42bromo6methoxy4(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2BROMO6METHOXY4(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
352693744
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)O)OC)N=N1
InChI=1SC22H23BrN4O3Sc1347103122252118(262722)14856916(14)2420(3021)131115(23)19(28)17(1213)292h56891112202428H34710H212H3
MFCD01647925
ZINC000002084581
ZINC000002084582
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