Vitas-M small molecule compound
4-chloro-3-{5-[(E)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK213560
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)C1CCCCC1)Cl
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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 C22H19ClN2O6 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O6/c23-17-8-6-12(21(28)29)10-15(17)18-9-7-14(31-18)11-16-19(26)24-22(30)25(20(16)27)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,28,29)(H,24,26,30)/b16-11+InChIKey
NITZCLZBZVGGMH-LFIBNONCSA-NSynonyms
4CHLORO3(5((E)(1CYCLOHEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1CYCLOHEXYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=O
InChI=1SC22H19ClN2O6c23178612(21(28)29)1015(17)189714(3118)111619(26)2422(30)25(20(16)27)134213513h61113H15H2(H2829)(H242630)b1611+
MFCD05821829
ZINC000012868223
ZINC12868223
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