Vitas-M small molecule compound
3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-chlorobenzenesulfonate
Catalog ID
STL383595
SMILES O=C1NC(=O)C(=Cc2cccc(c2)OS(=O)(=O)c2ccc(cc2)Cl)C(=O)N1
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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 C17H11ClN2O6S MW 406.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O6S/c18-11-4-6-13(7-5-11)27(24,25)26-12-3-1-2-10(8-12)9-14-15(21)19-17(23)20-16(14)22/h1-9H,(H2,19,20,21,22,23)InChIKey
ARIRSHKZMRTQFN-UHFFFAOYSA-NSynonyms
431053-60-0(3((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4CHLOROBENZENESULFONATE
3((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4chlorobenzenesulfonate
431053600
C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)C=C3C(=O)NC(=O)NC3=O
InChI=1SC17H11ClN2O6Sc18114613(7511)27(2425)261231210(812)91415(21)1917(23)2016(14)22h19H(H21920212223)
MFCD03139333
ZINC000002736159
ZINC02736159
ZINC2736159
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