Vitas-M small molecule compound
3-{5-[(E)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK048236
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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/c26-20-18(21(27)25(23(30)24-20)13-14-5-2-1-3-6-14)12-17-9-10-19(31-17)15-7-4-8-16(11-15)22(28)29/h1-12H,13H2,(H,28,29)(H,24,26,30)/b18-12+InChIKey
OINQKXMIFXEOIK-LDADJPATSA-NSynonyms
3(5((E)(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((E)(1BENZYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=O
InChI=1SC23H16N2O6c262018(21(27)25(23(30)2420)13145213614)121791019(3117)1574816(1115)22(28)29h112H13H2(H2829)(H242630)b1812+
MFCD03711029
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
STK048236
ZINC000001160847
ZINC1160847
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