Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(4-chloro-3-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980019
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(c(c1)[N+](=O)[O-])Cl)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 C22H20ClN5O4S MW 485.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4S/c1-3-4-11-33-22-24-20-19(25-26-22)15-7-5-6-8-17(15)27(13(2)29)21(32-20)14-9-10-16(23)18(12-14)28(30)31/h5-10,12,21H,3-4,11H2,1-2H3InChIKey
WOWIMBVCLQTKSQ-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(4chloro3nitrophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(4CHLORO3NITROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C(=O)C)N=N1
CCCCSc1nnc2c(n1)OC(c1ccc(c(c1)(N+)(=O)(O))Cl)N(c1c2cccc1)C(=O)C
InChI=1SC22H20ClN5O4Sc134113322242019(252622)15756817(15)27(13(2)29)21(3220)1491016(23)18(1214)28(30)31h5101221H3411H212H3
MFCD02182536
ZINC000015015729
ZINC000015015730
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