Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(2-ethoxy-5-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980036
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(ccc1OCC)[N+](=O)[O-]
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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 C24H25N5O5S MW 495.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O5S/c1-4-6-13-35-24-25-22-21(26-27-24)17-9-7-8-10-19(17)28(15(3)30)23(34-22)18-14-16(29(31)32)11-12-20(18)33-5-2/h7-12,14,23H,4-6,13H2,1-3H3InChIKey
CAMDPZDNHDQHKN-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(2ethoxy5nitrophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(2ETHOXY5NITROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(2ETHOXY5NITROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)(N+)(=O)(O))OCC)C(=O)C)N=N1
CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(ccc1OCC)(N+)(=O)(O)
InChI=1SC24H25N5O5Sc146133524252221(262724)179781019(17)28(15(3)30)23(3422)181416(29(31)32)111220(18)3352h7121423H4613H213H3
MFCD02182576
ZINC000002094466
ZINC000002094468
Check stock
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