Vitas-M small molecule compound

1-[3-(hexylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509217
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccsc1)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 C22H24N4O2S2 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S2/c1-3-4-5-8-12-30-22-23-20-19(24-25-22)17-9-6-7-10-18(17)26(15(2)27)21(28-20)16-11-13-29-14-16/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3
InChIKey
JMETZEHGPNETLT-UHFFFAOYSA-N
Synonyms

1(3(hexylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(3THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CSC=C4)C(=O)C)N=N1
InChI=1SC22H24N4O2S2c13458123022232019(242522)179671018(17)26(15(2)27)21(2820)161113291416h67911131421H35812H212H3
MFCD02952030
ZINC000002104614
ZINC000002104618

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Available files

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