Vitas-M small molecule compound
2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STK004914
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[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 C18H13N3O9S MW 447.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O9S/c1-29-14-9-10(8-11-16(22)19-18(24)20-17(11)23)6-7-13(14)30-31(27,28)15-5-3-2-4-12(15)21(25)26/h2-9H,1H3,(H2,19,20,22,23,24)InChIKey
JUGNLDZUHDZMFL-UHFFFAOYSA-NSynonyms
(2METHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY4((246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENYL2NITROBENZENESULFONATE
2METHOXY4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL2NITROBENZENESULFONATE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1C(=O)NC(=O)NC1=O
InChI=1SC18H13N3O9Sc12914910(81116(22)1918(24)2017(11)23)6713(14)3031(2728)15532412(15)21(25)26h29H1H3(H21920222324)
MFCD01873477
STK004914
ZINC000008843084
ZINC8843084
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