Vitas-M small molecule compound
2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STL418597
SMILES O=C1N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N1C
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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 C19H15N3O8S MW 445.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O8S/c1-20-17(23)13(18(24)21(2)19(20)25)11-12-7-3-5-9-15(12)30-31(28,29)16-10-6-4-8-14(16)22(26)27/h3-11H,1-2H3InChIKey
GMTRVNKTVVYVOC-UHFFFAOYSA-NSynonyms
(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl2nitrobenzenesulfonate
CN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))C(=O)N(C1=O)C
InChI=1SC19H15N3O8Sc12017(23)13(18(24)21(2)19(20)25)1112735915(12)3031(2829)161064814(16)22(26)27h311H12H3
MFCD01963854
O=C1N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2(N+)(=O)(O))C(=O)N1C
ZINC000002997528
ZINC02997528
ZINC2997528
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