Vitas-M small molecule compound

6-(2-bromo-4,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169785
SMILES CCSc1nnc2c(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 C20H19BrN4O3S MW 475.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O3S/c1-4-29-20-23-19-17(24-25-20)11-7-5-6-8-14(11)22-18(28-19)12-9-15(26-2)16(27-3)10-13(12)21/h5-10,18,22H,4H2,1-3H3
InChIKey
WUAQZLAZBRWZRT-UHFFFAOYSA-N
Synonyms

6(2bromo45dimethoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2bromo45dimethoxyphenyl)3ethylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4Br)OC)OC)N=N1
InChI=1SC20H19BrN4O3Sc142920231917(242520)11756814(11)2218(2819)12915(262)16(273)1013(12)21h5101822H4H213H3
MFCD01449403
ZINC000002740586
ZINC000002740587

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Available files

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