Vitas-M small molecule compound
2-{(E)-[1-(3-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl benzenesulfonate
Catalog ID
STL494964
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1cccc(c1)[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 C23H15N3O8S MW 493.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O8S/c27-21-19(22(28)25(23(29)24-21)16-8-6-9-17(14-16)26(30)31)13-15-7-4-5-12-20(15)34-35(32,33)18-10-2-1-3-11-18/h1-14H,(H,24,27,29)/b19-13+InChIKey
HHYKUPZGPDUILC-CPNJWEJPSA-NSynonyms
(2((E)(1(3NITROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2((E)(1(3nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenylbenzenesulfonate
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H15N3O8Sc272119(22(28)25(23(29)2421)1686917(1416)26(30)31)13157451220(15)3435(3233)18102131118h114H(H242729)b1913+
MFCD03993787
O=C1NC(=O)N(C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000002827429
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