Vitas-M small molecule compound
6-(2-bromo-4,5-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169796
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(OC)c(cc1Br)OC
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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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-4-9-30-21-24-20-18(25-26-21)12-7-5-6-8-15(12)23-19(29-20)13-10-16(27-2)17(28-3)11-14(13)22/h5-8,10-11,19,23H,4,9H2,1-3H3InChIKey
IDAQKDIAJILONR-UHFFFAOYSA-NSynonyms
353475-83-9353475839
6(2bromo45dimethoxyphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2BROMO45DIMETHOXYPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4Br)OC)OC)N=N1
InChI=1SC21H21BrN4O3Sc1493021242018(252621)12756815(12)2319(2920)131016(272)17(283)1114(13)22h5810111923H49H213H3
MFCD01647753
ZINC000002084030
ZINC000002084031
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