Vitas-M small molecule compound

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

Catalog ID
STK192760
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)/C1=O

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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 C24H17BrClN3O4S MW 558.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrClN3O4S/c1-12-9-14(13(2)28(12)17-7-8-20(26)18(11-17)23(32)33)10-19-21(30)27-24(34)29(22(19)31)16-5-3-15(25)4-6-16/h3-11H,1-2H3,(H,32,33)(H,27,30,34)/b19-10-
InChIKey
STAVGTNYBDZTRS-GRSHGNNSSA-N
Synonyms
496767-40-9
496767409
5(3((Z)(1(4BROMOPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2CHLOROBENZOICACID
5(3((Z)(1(4BROMOPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2CHLOROBENZOICACID
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)C1=O
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC24H17BrClN3O4Sc112914(13(2)28(12)177820(26)18(1117)23(32)33)101921(30)2724(34)29(22(19)31)165315(25)4616h311H12H3(H3233)(H273034)b1910
MFCD02611765
ZINC000100249233
ZINC100249233

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Available files

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