Vitas-M small molecule compound

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

Catalog ID
STK170540
SMILES Brc1cccc(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 C22H13BrN2O6 MW 481.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrN2O6/c23-14-5-2-6-15(10-14)25-20(27)17(19(26)24-22(25)30)11-16-7-8-18(31-16)12-3-1-4-13(9-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11+
InChIKey
RRHCWOKMIIRTSK-GZTJUZNOSA-N
Synonyms
423747-42-6
3(5((E)(1(3BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((E)(1(3BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
423747426
Brc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br
InChI=1SC22H13BrN2O6c231452615(1014)2520(27)17(19(26)2422(25)30)11167818(3116)1231413(912)21(28)29h111H(H2829)(H242630)b1711+
MFCD03226428
ZINC000009891801
ZINC9891801

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Available files

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