Vitas-M small molecule compound
(5E)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STK626888
SMILES SC1=NC(=O)/C(=C/c2cc(n(c2C)c2cc(C)cc(c2)C)C)/C(=N1)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 C19H19N3O2S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c1-10-5-11(2)7-15(6-10)22-12(3)8-14(13(22)4)9-16-17(23)20-19(25)21-18(16)24/h5-9H,1-4H3,(H2,20,21,23,24,25)InChIKey
HJFKQBGVHYOVDS-UHFFFAOYSA-NSynonyms
(5E)5((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((1(35DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)NC3=O)C)C
InChI=1SC19H19N3O2Sc110511(2)715(610)2212(3)814(13(22)4)91617(23)2019(25)2118(16)24h59H14H3(H22021232425)
MFCD09794736
SC1=NC(=O)C(=Cc2cc(n(c2C)c2cc(C)cc(c2)C)C)C(=N1)O
ZINC000000843348
ZINC843348
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