Vitas-M small molecule compound
3-(methylsulfanyl)-6-(5-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326749
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(s1)C
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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 C16H14N4OS2 MW 342.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4OS2/c1-9-7-8-12(23-9)14-17-11-6-4-3-5-10(11)13-15(21-14)18-16(22-2)20-19-13/h3-8,14,17H,1-2H3InChIKey
LQOCHDSDUKJFDW-UHFFFAOYSA-NSynonyms
3(methylsulfanyl)6(5methylthiophen2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3METHYLSULFANYL6(5METHYLTHIOPHEN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=CC=C(S1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC
InChI=1SC16H14N4OS2c197812(239)141711643510(11)1315(2114)1816(222)201913h381417H12H3
MFCD02222543
ZINC000000086656
ZINC000000086661
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