Vitas-M small molecule compound
6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169856
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(OCC)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 C24H27BrN4O3S MW 531.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN4O3S/c1-4-6-9-12-33-24-27-23-21(28-29-24)15-10-7-8-11-18(15)26-22(32-23)16-13-20(31-5-2)19(30-3)14-17(16)25/h7-8,10-11,13-14,22,26H,4-6,9,12H2,1-3H3InChIKey
BQZGNYSHQJLQSA-UHFFFAOYSA-NSynonyms
6(2bromo5ethoxy4methoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2bromo5ethoxy4methoxyphenyl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4Br)OC)OCC)N=N1
InChI=1SC24H27BrN4O3Sc1469123324272321(282924)1510781118(15)2622(3223)161320(3152)19(303)1417(16)25h78101113142226H46912H213H3
MFCD01919440
ZINC000002742821
ZINC000002742822
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