Vitas-M small molecule compound
5-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187504
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccccc2Cl)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 C19H18ClN3O2S MW 387.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O2S/c1-11-9-13(12(2)23(11)16-8-6-5-7-15(16)20)10-14-17(24)21(3)19(26)22(4)18(14)25/h5-10H,1-4H3InChIKey
JQMRKSHBHFVKOK-UHFFFAOYSA-NSynonyms
5((1(2CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(2CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((1(2CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC19H18ClN3O2Sc111913(12(2)23(11)16865715(16)20)101417(24)21(3)19(26)22(4)18(14)25h510H14H3
MFCD02779775
ZINC000004083675
ZINC04083675
ZINC4083675
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