Vitas-M small molecule compound
2-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-chlorobenzenesulfonate
Catalog ID
STL383597
SMILES O=C1NC(=O)C(=Cc2ccccc2OS(=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/c18-11-5-7-12(8-6-11)27(24,25)26-14-4-2-1-3-10(14)9-13-15(21)19-17(23)20-16(13)22/h1-9H,(H2,19,20,21,22,23)InChIKey
LHZIZLVLOKQWPM-UHFFFAOYSA-NSynonyms
(2((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4CHLOROBENZENESULFONATE
2((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4chlorobenzenesulfonate
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=C(C=C3)Cl
InChI=1SC17H11ClN2O6Sc18115712(8611)27(2425)2614421310(14)91315(21)1917(23)2016(13)22h19H(H21920212223)
MFCD03217464
ZINC000002735847
ZINC2735847
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