Vitas-M small molecule compound
5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(phenylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK788896
SMILES O=C1N(C)C(=O)C(=C(Nc2ccccc2)SCc2cc3OCOc3cc2Cl)C(=O)N1C
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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 C21H18ClN3O5S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5S/c1-24-19(26)17(20(27)25(2)21(24)28)18(23-13-6-4-3-5-7-13)31-10-12-8-15-16(9-14(12)22)30-11-29-15/h3-9,23H,10-11H2,1-2H3InChIKey
ASXANDFLLYLNEA-UHFFFAOYSA-NSynonyms
5((((6chloro13benzodioxol5yl)methyl)sulfanyl)(phenylamino)methylidene)13dimethylpyrimidine246(1H3H5H)trione
5((((6chlorobenzo(d)(13)dioxol5yl)methyl)thio)(phenylamino)methylene)13dimethylpyrimidine246(1H3H5H)trione
5(((6CHLORO(2HBENZO(D)13DIOXOLAN5YL))METHYLTHIO)(PHENYLAMINO)METHYLENE)13DIMETHYL13DIHYDROPYRIMIDINE246TRIONE
5(ANILINO((6CHLORO13BENZODIOXOL5YL)METHYLSULFANYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC4=C(C=C3Cl)OCO4)C(=O)N(C1=O)C
InChI=1SC21H18ClN3O5Sc12419(26)17(20(27)25(2)21(24)28)18(23136435713)31101281516(914(12)22)30112915h3923H1011H212H3
MFCD06613734
ZINC000002364324
ZINC02364324
ZINC2364324
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