Vitas-M small molecule compound
4-{5-[(E)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}-3-methylbenzoic acid
Catalog ID
STK213559
SMILES OC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)C1CCCCC1
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-13-11-14(22(28)29)7-9-17(13)19-10-8-16(31-19)12-18-20(26)24-23(30)25(21(18)27)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,28,29)(H,24,26,30)/b18-12+InChIKey
HYSUWEHSSGNRER-LDADJPATSA-NSynonyms
4(5((E)(1CYCLOHEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
4(5((E)(1CYCLOHEXYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4
InChI=1SC23H22N2O6c1131114(22(28)29)7917(13)1910816(3119)121820(26)2423(30)25(21(18)27)155324615h71215H26H21H3(H2829)(H242630)b1812+
MFCD05821827
OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)C1CCCCC1
ZINC000012868210
ZINC12868210
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