Vitas-M small molecule compound
2-chloro-5-(3-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK115739
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)Cc1ccco1
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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 C23H18ClN3O6 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O6/c1-12-8-14(13(2)27(12)15-5-6-19(24)17(10-15)22(30)31)9-18-20(28)25-23(32)26(21(18)29)11-16-4-3-7-33-16/h3-10H,11H2,1-2H3,(H,30,31)(H,25,28,32)/b18-9-InChIKey
CMBQMAIAEQZARQ-NVMNQCDNSA-NSynonyms
2CHLORO5(3((Z)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO5(3((Z)(1(FURAN2YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4
InChI=1SC23H18ClN3O6c112814(13(2)27(12)155619(24)17(1015)22(30)31)91820(28)2523(32)26(21(18)29)11164373316h310H11H212H3(H3031)(H252832)b189
MFCD03928541
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)Cc1ccco1
ZINC000012628976
ZINC12628976
Check stock
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Check stock on Vitas-MAvailable files
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