Vitas-M small molecule compound

6-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169840
SMILES CCOc1cc(cc(c1OC)Br)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 C20H19BrN4O3S MW 475.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O3S/c1-4-27-15-10-11(9-13(21)17(15)26-2)18-22-14-8-6-5-7-12(14)16-19(28-18)23-20(29-3)25-24-16/h5-10,18,22H,4H2,1-3H3
InChIKey
GTJLIFDCFXBSTJ-UHFFFAOYSA-N
Synonyms

6(3bromo5ethoxy4methoxyphenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO5ETHOXY4METHOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br)OC
InChI=1SC20H19BrN4O3Sc1427151011(913(21)17(15)262)182214865712(14)1619(2818)2320(293)252416h5101822H4H213H3
MFCD01647916
ZINC000001168678
ZINC000001168679

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Available files

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