Vitas-M small molecule compound

4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid

Catalog ID
STK175148
SMILES OC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

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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 C24H17ClN2O6 MW 464.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O6/c1-12-3-5-15(10-19(12)25)27-22(29)18(21(28)26-24(27)32)11-16-6-8-20(33-16)17-7-4-14(23(30)31)9-13(17)2/h3-11H,1-2H3,(H,30,31)(H,26,28,32)/b18-11-
InChIKey
VICPOKTXUUMOQD-WQRHYEAKSA-N
Synonyms

4(5((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
4(5((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)C(=O)O)C)C(=O)NC2=O)Cl
InChI=1SC24H17ClN2O6c1123515(1019(12)25)2722(29)18(21(28)2624(27)32)11166820(3316)177414(23(30)31)913(17)2h311H12H3(H3031)(H262832)b1811
MFCD03716569
OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
ZINC000009322180
ZINC9322180

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Available files

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