Vitas-M small molecule compound
3-(2-{(E)-[1-(3-chloro-2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK160710
SMILES OC(=O)c1cccc(c1)n1cccc1/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 C23H16ClN3O5 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5/c1-13-18(24)8-3-9-19(13)27-21(29)17(20(28)25-23(27)32)12-16-7-4-10-26(16)15-6-2-5-14(11-15)22(30)31/h2-12H,1H3,(H,30,31)(H,25,28,32)/b17-12+InChIKey
BUHCNVLBTNDZSS-SFQUDFHCSA-NSynonyms
3(2((E)(1(3chloro2methylphenyl)246trioxo13diazinan5ylidene)methyl)pyrrol1yl)benzoicacid
3(2((E)(1(3CHLORO2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=O
InChI=1SC23H16ClN3O5c11318(24)83919(13)2721(29)17(20(28)2523(27)32)1216741026(16)1562514(1115)22(30)31h212H1H3(H3031)(H252832)b1712+
MFCD08671425
OC(=O)c1cccc(c1)n1cccc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)Cl
ZINC000009845922
ZINC9845922
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