Vitas-M small molecule compound
3-(5-{(E)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK019209
SMILES Cc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(=O)O)/C1=O
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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 C23H16N2O6 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O6/c1-13-4-2-7-16(10-13)25-21(27)18(20(26)24-23(25)30)12-17-8-9-19(31-17)14-5-3-6-15(11-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)/b18-12+InChIKey
IQIAFUDQUURHPK-LDADJPATSA-NSynonyms
3(5((E)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((E)(1(3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=O
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
InChI=1SC23H16N2O6c11342716(1013)2521(27)18(20(26)2423(25)30)12178919(3117)1453615(1114)22(28)29h212H1H3(H2829)(H242630)b1812+
MFCD03181978
STK019209
ZINC000013940279
ZINC13940279
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