Vitas-M small molecule compound
3-(hexylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445133
SMILES CCCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1sccc1C
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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 C21H24N4OS2 MW 412.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4OS2/c1-3-4-5-8-12-28-21-23-19-17(24-25-21)15-9-6-7-10-16(15)22-20(26-19)18-14(2)11-13-27-18/h6-7,9-11,13,20,22H,3-5,8,12H2,1-2H3InChIKey
RQNSFAJTXJYFHM-UHFFFAOYSA-NSynonyms
3(hexylsulfanyl)6(3methylthiophen2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3HEXYLSULFANYL6(3METHYLTHIOPHEN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CS4)C)N=N1
InChI=1SC21H24N4OS2c13458122821231917(242521)159671016(15)2220(2619)1814(2)11132718h67911132022H35812H212H3
MFCD01837020
ZINC000003772533
ZINC000003772534
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