Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK326333
SMILES CSc1nnc2c(n1)OC(c1ccc(s1)C)N(c1c2cccc1)C(=O)CC
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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 C19H18N4O2S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2S2/c1-4-15(24)23-13-8-6-5-7-12(13)16-17(20-19(26-3)22-21-16)25-18(23)14-10-9-11(2)27-14/h5-10,18H,4H2,1-3H3InChIKey
ZJABNEKLXLUSIJ-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(5methylthiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6(5METHYLTHIOPHEN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(METHYLSULFANYL)6(5METHYL2THIENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(S4)C
InChI=1SC19H18N4O2S2c1415(24)2313865712(13)1617(2019(263)222116)2518(23)1410911(2)2714h51018H4H213H3
MFCD03080401
ZINC000000684545
ZINC000000684546
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