Vitas-M small molecule compound
3-(butylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169771
SMILES CCCCSc1nnc2c(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 C19H20N4OS2 MW 384.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4OS2/c1-3-4-10-26-19-21-17-15(22-23-19)13-7-5-6-8-14(13)20-18(24-17)16-12(2)9-11-25-16/h5-9,11,18,20H,3-4,10H2,1-2H3InChIKey
NCARJJHPLXCLNB-UHFFFAOYSA-NSynonyms
3(butylsulfanyl)6(3methylthiophen2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3BUTYLSULFANYL6(3METHYLTHIOPHEN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CS4)C)N=N1
InChI=1SC19H20N4OS2c134102619211715(222319)13756814(13)2018(2417)1612(2)9112516h59111820H3410H212H3
MFCD01466209
ZINC000002741786
ZINC000002741787
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