Vitas-M small molecule compound
4-bromo-2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl benzenesulfonate
Catalog ID
STL164108
SMILES S=C1NC(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccccc2)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 C17H11BrN2O5S2 MW 467.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN2O5S2/c18-11-6-7-14(25-27(23,24)12-4-2-1-3-5-12)10(8-11)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)InChIKey
YDBJSCVKYBQAIM-UHFFFAOYSA-NSynonyms
(4BROMO2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
4bromo2((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenylbenzenesulfonate
C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O
InChI=1SC17H11BrN2O5S2c18116714(2527(2324)124213512)10(811)91315(21)1917(26)2016(13)22h19H(H21920212226)
MFCD02608353
ZINC000002771550
ZINC02771550
ZINC2771550
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