Vitas-M small molecule compound
9-nitro-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
Catalog ID
STL022505
SMILES O=C1SCC2(N1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1)[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 C18H14N4O4S MW 382.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O4S/c23-17-19-18(10-27-17)21-15(9-14(20-21)11-4-2-1-3-5-11)13-8-12(22(24)25)6-7-16(13)26-18/h1-8,15H,9-10H2,(H,19,23)InChIKey
KYHORIBEIFAIAF-UHFFFAOYSA-NSynonyms
9nitro2phenyl110bdihydro2Hspiro(pyrazolo(15c)(13)benzoxazine54(13)thiazolidin)2one
9nitro2phenylspiro(110bdihydropyrazolo(15c)(13)benzoxazine5413thiazolidine)2one
C1C2C3=C(C=CC(=C3)(N+)(=O)(O))OC4(N2N=C1C5=CC=CC=C5)CSC(=O)N4
InChI=1SC18H14N4O4Sc23171918(102717)2115(914(2021)114213511)13812(22(24)25)6716(13)2618h1815H910H2(H1923)
MFCD06438835
O=C1SCC2(N1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1)(N+)(=O)(O)
ZINC000004540132
ZINC000012273885
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