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Vitas-M small molecule compound

3-(3-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid

Catalog ID
STK192587
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1C)C(=O)O)C)c1ccccc1F

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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 C25H20FN3O4S MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O4S/c1-13-11-16(15(3)28(13)20-10-6-7-17(14(20)2)24(32)33)12-18-22(30)27-25(34)29(23(18)31)21-9-5-4-8-19(21)26/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/b18-12-
InChIKey
YZLIIAQAQBBQFN-PDGQHHTCSA-N
Synonyms

(Z)3(3((1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)2methylbenzoicacid
3(3((1(2FLUOROPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)2METHYLBENZOICACID
3(3((1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
3(3((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
3(3((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((Z)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
InChI=1SC25H20FN3O4Sc1131116(15(3)28(13)20106717(14(20)2)24(32)33)121822(30)2725(34)29(23(18)31)21954819(21)26h412H13H3(H3233)(H273034)b1812
MFCD02602888
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1C)C(=O)O)C)c1ccccc1F
ZINC980458

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Available files

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