Vitas-M small molecule compound
6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169918
SMILES C=CCOc1c(Br)cc(cc1OCC)C1Nc2ccccc2c2c(O1)nc(SC)nn2
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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 C22H21BrN4O3S MW 501.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S/c1-4-10-29-19-15(23)11-13(12-17(19)28-5-2)20-24-16-9-7-6-8-14(16)18-21(30-20)25-22(31-3)27-26-18/h4,6-9,11-12,20,24H,1,5,10H2,2-3H3InChIKey
FADQTHVTIZTFIY-UHFFFAOYSA-NSynonyms
6(3bromo5ethoxy4(prop2en1yloxy)phenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO5ETHOXY4PROP2ENOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(ALLYLOXY)3BROMO5ETHOXYPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br)OCC=C
InChI=1SC22H21BrN4O3Sc1410291915(23)1113(1217(19)2852)202416976814(16)1821(3020)2522(313)272618h46911122024H1510H223H3
MFCD01835248
ZINC000002085811
ZINC000002085812
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