Vitas-M small molecule compound
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate
Catalog ID
STK001993
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C=C1C(=O)N(C)C(=O)N(C1=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 C20H17N3O9S MW 475.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O9S/c1-21-18(24)13(19(25)22(2)20(21)26)10-12-8-9-15(16(11-12)31-3)32-33(29,30)17-7-5-4-6-14(17)23(27)28/h4-11H,1-3H3InChIKey
QRHJCJOTZUONRN-UHFFFAOYSA-NSynonyms
(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)2NITROBENZENESULFONATE
4((13DIMETHYL246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2METHOXYPHENYL2NITROBENZENESULFONATE
4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYL2NITROBENZENESULFONATE
CN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))OC)C(=O)N(C1=O)C
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC20H17N3O9Sc12118(24)13(19(25)22(2)20(21)26)10128915(16(1112)313)3233(2930)17754614(17)23(27)28h411H13H3
MFCD01873533
STK001993
ZINC000008843094
ZINC08843094
ZINC8843094
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Check stock on Vitas-MAvailable files
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