Vitas-M small molecule compound
6-[2-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326349
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1OCc1ccccc1)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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-30-20-14-8-12-18(22(20)31-15-16-9-4-3-5-10-16)23-26-19-13-7-6-11-17(19)21-24(32-23)27-25(33-2)29-28-21/h3-14,23,26H,15H2,1-2H3InChIKey
CCZZENSVABPWJH-UHFFFAOYSA-NSynonyms
6(2(benzyloxy)3methoxyphenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3METHOXY2PHENYLMETHOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=CC=CC(=C1OCC2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC
InChI=1SC25H22N4O3Sc130201481218(22(20)31151694351016)23261913761117(19)2124(3223)2725(332)292821h3142326H15H212H3
MFCD02377104
ZINC000002874203
ZINC000002874204
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