Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980058
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(s1)C)N(c1c2cccc1)C(=O)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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-4-5-12-28-21-22-19-18(23-24-21)15-8-6-7-9-16(15)25(14(3)26)20(27-19)17-11-10-13(2)29-17/h6-11,20H,4-5,12H2,1-3H3InChIKey
BAYUNJCOKGDULF-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(5methylthiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(5METHYLTHIOPHEN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(5METHYL2THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(S4)C)C(=O)C)N=N1
InChI=1SC21H22N4O2S2c145122821221918(232421)15867916(15)25(14(3)26)20(2719)17111013(2)2917h61120H4512H213H3
MFCD02376810
ZINC000002094933
ZINC000002094936
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