Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980027
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])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 C27H25N5O5S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S/c1-4-5-14-38-27-28-25-24(29-30-27)20-8-6-7-9-21(20)31(17(3)33)26(37-25)23-13-12-22(36-23)19-11-10-18(32(34)35)15-16(19)2/h6-13,15,26H,4-5,14H2,1-3H3InChIKey
NYHOYSSJWKIHAS-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(5(2methyl4nitrophenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(5(2METHYL4NITROPHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(5(4NITRO2METHYLPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))C)C(=O)C)N=N1
CCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))N(c1c2cccc1)C(=O)C
InChI=1SC27H25N5O5Sc145143827282524(293027)20867921(20)31(17(3)33)26(3725)23131222(3623)19111018(32(34)35)1516(19)2h6131526H4514H213H3
MFCD02182612
ZINC000002113824
ZINC000002113827
Check stock
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Check stock on Vitas-MAvailable files
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