Vitas-M small molecule compound
6-(3-methylthiophen-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169850
SMILES CCCCCSc1nnc2c(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 C20H22N4OS2 MW 398.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4OS2/c1-3-4-7-11-27-20-22-18-16(23-24-20)14-8-5-6-9-15(14)21-19(25-18)17-13(2)10-12-26-17/h5-6,8-10,12,19,21H,3-4,7,11H2,1-2H3InChIKey
KLBMBGKGXUSDHN-UHFFFAOYSA-NSynonyms
6(3methylthiophen2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3METHYLTHIOPHEN2YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CS4)C)N=N1
InChI=1SC20H22N4OS2c1347112720221816(232420)14856915(14)2119(2518)1713(2)10122617h56810121921H34711H212H3
MFCD01834628
ZINC000002084640
ZINC000002084641
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