Vitas-M small molecule compound
6-[3-(benzyloxy)phenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326348
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1)OCc1ccccc1
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-2-32-25-27-24-22(28-29-25)20-13-6-7-14-21(20)26-23(31-24)18-11-8-12-19(15-18)30-16-17-9-4-3-5-10-17/h3-15,23,26H,2,16H2,1H3InChIKey
YMTDWZMOPNSGNI-UHFFFAOYSA-NSynonyms
3ETHYLSULFANYL6(3PHENYLMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(3(benzyloxy)phenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OCC5=CC=CC=C5)N=N1
InChI=1SC25H22N4O2Sc123225272422(282925)2013671421(20)2623(3124)181181219(1518)30161794351017h3152326H216H21H3
MFCD02377042
ZINC000002882501
ZINC000002882502
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