Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[2-(hexyloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980049
SMILES CCCCCCOc1ccccc1C1Oc2nc(SCCCC)nnc2c2c(N1C(=O)C)cccc2
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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 C28H34N4O3S MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O3S/c1-4-6-8-13-18-34-24-17-12-10-15-22(24)27-32(20(3)33)23-16-11-9-14-21(23)25-26(35-27)29-28(31-30-25)36-19-7-5-2/h9-12,14-17,27H,4-8,13,18-19H2,1-3H3InChIKey
AFOJIKCQZSHFAR-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(2(hexyloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(2HEXOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
2(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLHEXYLETHER
CCCCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCCCC)C(=O)C
InChI=1SC28H34N4O3Sc1468131834241712101522(24)2732(20(3)33)23161191421(23)2526(3527)2928(313025)3619752h912141727H48131819H213H3
MFCD02326685
ZINC000002094907
ZINC000002094910
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