Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521567
SMILES CCCCSc1nnc2c(n1)OC(c1ccsc1)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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-3-5-11-29-21-22-19-18(23-24-21)15-8-6-7-9-16(15)25(17(26)4-2)20(27-19)14-10-12-28-13-14/h6-10,12-13,20H,3-5,11H2,1-2H3InChIKey
BGXXKNOIHYMSPR-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3BUTYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CSC=C4)C(=O)CC)N=N1
InChI=1SC21H22N4O2S2c135112921221918(232421)15867916(15)25(17(26)42)20(2719)141012281314h610121320H3511H212H3
MFCD03271434
ZINC000008398016
ZINC000008398023
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