Vitas-M small molecule compound
2-methoxy-6-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK015360
SMILES COc1cccc(c1OS(=O)(=O)c1ccc(cc1)C)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 C19H16N2O7S MW 416.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O7S/c1-11-6-8-13(9-7-11)29(25,26)28-16-12(4-3-5-15(16)27-2)10-14-17(22)20-19(24)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,24)InChIKey
SSDNYJMOGICCGC-UHFFFAOYSA-NSynonyms
443910-44-9(2METHOXY6((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2METHOXY6((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
443910449
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C3C(=O)NC(=O)NC3=O
COc1cccc(c1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=O)NC(=O)NC1=O
InChI=1SC19H16N2O7Sc1116813(9711)29(2526)281612(43515(16)272)101417(22)2019(24)2118(14)23h310H12H3(H22021222324)
MFCD02604751
STK015360
ZINC000002726931
ZINC02726931
ZINC2726931
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