Vitas-M small molecule compound
6-{2-[(4-bromobenzyl)oxy]phenyl}-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL171202
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1OCc1ccc(cc1)Br
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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 C25H21BrN4O2S MW 521.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4O2S/c1-2-33-25-28-24-22(29-30-25)18-7-3-5-9-20(18)27-23(32-24)19-8-4-6-10-21(19)31-15-16-11-13-17(26)14-12-16/h3-14,23,27H,2,15H2,1H3InChIKey
UWUQPROSAHBYJP-UHFFFAOYSA-NSynonyms
6(2((4bromobenzyl)oxy)phenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2((4BROMOPHENYL)METHOXY)PHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC=C(C=C5)Br)N=N1
InChI=1SC25H21BrN4O2Sc123325282422(293025)18735920(18)2723(3224)198461021(19)311516111317(26)141216h3142327H215H21H3
MFCD01835587
ZINC000002095571
ZINC000002095574
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