Vitas-M small molecule compound
2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methoxy-6-nitrophenyl acetate
Catalog ID
STK980010
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)[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 C25H25N5O7S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O7S/c1-5-6-11-38-25-26-23-21(27-28-25)17-9-7-8-10-19(17)29(14(2)31)24(37-23)18-12-16(35-4)13-20(30(33)34)22(18)36-15(3)32/h7-10,12-13,24H,5-6,11H2,1-4H3InChIKey
NYMBJDANFDBXNJ-UHFFFAOYSA-NSynonyms
(2(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4METHOXY6NITROPHENYL)ACETATE
2(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4methoxy6nitrophenylacetate
2(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6NITRO4METHOXYPHENYLACETATE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)C)(N+)(=O)(O))OC)C(=O)C)N=N1
CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)(N+)(=O)(O)
InChI=1SC25H25N5O7Sc156113825262321(272825)179781019(17)29(14(2)31)24(3723)181216(354)1320(30(33)34)22(18)3615(3)32h710121324H5611H214H3
MFCD02326640
ZINC000008452875
ZINC000008452876
Check stock
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Check stock on Vitas-MAvailable files
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