Vitas-M small molecule compound

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

Catalog ID
STK187528
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1C)Cl

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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 C23H15ClN2O6 MW 450.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O6/c1-12-17(24)3-2-4-18(12)26-21(28)16(20(27)25-23(26)31)11-15-9-10-19(32-15)13-5-7-14(8-6-13)22(29)30/h2-11H,1H3,(H,29,30)(H,25,27,31)/b16-11+
InChIKey
JYVSQHVAIYPPOR-LFIBNONCSA-N
Synonyms

4(5((E)(1(3chloro2methylphenyl)246trioxo13diazinan5ylidene)methyl)furan2yl)benzoicacid
4(5((E)(1(3CHLORO2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC23H15ClN2O6c11217(24)32418(12)2621(28)16(20(27)2523(26)31)111591019(3215)135714(8613)22(29)30h211H1H3(H2930)(H252731)b1611+
MFCD08671429
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)Cl
ZINC000009907495
ZINC9907495

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Available files

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