Vitas-M small molecule compound
5-(3-{(E)-[1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
Catalog ID
STK192762
SMILES Brc1ccc(c(c1)C)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 C25H19BrClN3O4S MW 572.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrClN3O4S/c1-12-8-16(26)4-7-21(12)30-23(32)19(22(31)28-25(30)35)10-15-9-13(2)29(14(15)3)17-5-6-20(27)18(11-17)24(33)34/h4-11H,1-3H3,(H,33,34)(H,28,31,35)/b19-10+InChIKey
YLNBGSWHMHWHAM-VXLYETTFSA-NSynonyms
680593-33-35(3((E)(1(4bromo2methylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)2chlorobenzoicacid
5(3((E)(1(4BROMO2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2CHLOROBENZOICACID
680593333
Brc1ccc(c(c1)C)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=C(C=C(C=C4)Br)C
InChI=1SC25H19BrClN3O4Sc112816(26)4721(12)3023(32)19(22(31)2825(30)35)1015913(2)29(14(15)3)175620(27)18(1117)24(33)34h411H13H3(H3334)(H283135)b1910+
MFCD02611792
ZINC000002783040
ZINC2783040
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.