Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367388
SMILES S=C1NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)C)C)/C(=O)N1c1ccc(c(c1)Cl)C
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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 C25H21Cl2N3O2S MW 498.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O2S/c1-13-5-7-18(11-21(13)26)29-15(3)9-17(16(29)4)10-20-23(31)28-25(33)30(24(20)32)19-8-6-14(2)22(27)12-19/h5-12H,1-4H3,(H,28,31,33)/b20-10+InChIKey
ATFZSYRASXQYQR-KEBDBYFISA-NSynonyms
(5E)1(3chloro4methylphenyl)5((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(3chloro4methylphenyl)5((1(3chloro4methylphenyl)25dimethylpyrrol3yl)methylidene)2sulfanylidene13diazinane46dione
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)C)Cl)C)Cl
InChI=1SC25H21Cl2N3O2Sc1135718(1121(13)26)2915(3)917(16(29)4)102023(31)2825(33)30(24(20)32)198614(2)22(27)1219h512H14H3(H283133)b2010+
MFCD28951787
S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C)C)C(=O)N1c1ccc(c(c1)Cl)C
ZINC000098086264
ZINC98086264
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