Vitas-M small molecule compound
2-ethoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-nitrobenzenesulfonate
Catalog ID
STL382810
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C=C1C(=O)NC(=O)NC1=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 C19H15N3O9S MW 461.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O9S/c1-2-30-16-10-11(9-14-17(23)20-19(25)21-18(14)24)3-8-15(16)31-32(28,29)13-6-4-12(5-7-13)22(26)27/h3-10H,2H2,1H3,(H2,20,21,23,24,25)InChIKey
LFNYYZKMPNDLRQ-UHFFFAOYSA-NSynonyms
(2ETHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4NITROBENZENESULFONATE
2ethoxy4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4nitrobenzenesulfonate
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=O)NC1=O
InChI=1SC19H15N3O9Sc1230161011(91417(23)2019(25)2118(14)24)3815(16)3132(2829)136412(5713)22(26)27h310H2H21H3(H22021232425)
MFCD02215636
ZINC000002950257
ZINC2950257
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