Vitas-M small molecule compound
5-{[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188130
SMILES Brc1ccc(c(c1)F)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)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 C19H17BrFN3O2S MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrFN3O2S/c1-10-7-12(8-14-17(25)22(3)19(27)23(4)18(14)26)11(2)24(10)16-6-5-13(20)9-15(16)21/h5-9H,1-4H3InChIKey
QQNZULAVIRNFDK-UHFFFAOYSA-NSynonyms
5((1(4BROMO2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)13DIMETHYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5((1(4BROMO2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4BROMO2FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC19H17BrFN3O2Sc110712(81417(25)22(3)19(27)23(4)18(14)26)11(2)24(10)166513(20)915(16)21h59H14H3
MFCD02779763
ZINC000000681144
ZINC00681144
ZINC681144
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