Vitas-M small molecule compound

3-{5-[(Z)-{1-[4-(butan-2-yl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]furan-2-yl}benzoic acid

Catalog ID
STK039740
SMILES CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/C1=O)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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-3-15(2)16-7-9-19(10-8-16)28-24(30)21(23(29)27-26(28)33)14-20-11-12-22(34-20)17-5-4-6-18(13-17)25(31)32/h4-15H,3H2,1-2H3,(H,31,32)(H,27,29,33)/b21-14-
InChIKey
USCHEGWTLRUPFS-STZFKDTASA-N
Synonyms
732249-05-7
(Z)3(5((1(4(secbutyl)phenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(1(4(BUTAN2YL)PHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(1(4BUTAN2YLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
732249057
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=O
CCC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O)C
InChI=1SC26H22N2O6c1315(2)167919(10816)2824(30)21(23(29)2726(28)33)1420111222(3420)1754618(1317)25(31)32h415H3H212H3(H3132)(H272933)b2114
MFCD03676206
STK039740
ZINC000020123614
ZINC000020123616

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Available files

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