Vitas-M small molecule compound
5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL375817
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C)C)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 C20H20ClN3O2S MW 401.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O2S/c1-11-6-7-15(10-17(11)21)24-12(2)8-14(13(24)3)9-16-18(25)22(4)20(27)23(5)19(16)26/h6-10H,1-5H3InChIKey
JLSJLFSLPROVOS-UHFFFAOYSA-NSynonyms
5((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)13dimethyl2thioxodihydropyrimidine46(1H5H)dione
5((1(3chloro4methylphenyl)25dimethylpyrrol3yl)methylidene)13dimethyl2sulfanylidene13diazinane46dione
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C)Cl
InChI=1SC20H20ClN3O2Sc1116715(1017(11)21)2412(2)814(13(24)3)91618(25)22(4)20(27)23(5)19(16)26h610H15H3
MFCD03928638
ZINC000059109577
ZINC59109577
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