Vitas-M small molecule compound
2-chloro-5-(5-{(Z)-[1-(3-chloro-2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK187525
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)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 C23H14Cl2N2O6 MW 485.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14Cl2N2O6/c1-11-16(24)3-2-4-18(11)27-21(29)15(20(28)26-23(27)32)10-13-6-8-19(33-13)12-5-7-17(25)14(9-12)22(30)31/h2-10H,1H3,(H,30,31)(H,26,28,32)/b15-10-InChIKey
PUBJJQRSIDRMTF-GDNBJRDFSA-NSynonyms
2chloro5(5((Z)(1(3chloro2methylphenyl)246trioxo13diazinan5ylidene)methyl)furan2yl)benzoicacid
2CHLORO5(5((Z)(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)Cl)C(=O)O)C(=O)NC2=O
InChI=1SC23H14Cl2N2O6c11116(24)32418(11)2721(29)15(20(28)2623(27)32)10136819(3313)125717(25)14(912)22(30)31h210H1H3(H3031)(H262832)b1510
MFCD06760856
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1cccc(c1C)Cl
ZINC000009324321
ZINC9324321
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