Vitas-M small molecule compound
methyl 2-chloro-5-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL359436
SMILES COC(=O)c1cc(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)ccc1Cl
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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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c1-11-3-6-13(7-4-11)24-18(26)15(17(25)23-20(24)28)10-22-12-5-8-16(21)14(9-12)19(27)29-2/h3-10,22H,1-2H3,(H,23,25,28)/b15-10-InChIKey
QZSBQCFBQVPEJU-GDNBJRDFSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)OC)C(=O)NC2=O
COC(=O)c1cc(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)ccc1Cl
InChI=1SC20H16ClN3O5c1113613(7411)2418(26)15(17(25)2320(24)28)1022125816(21)14(912)19(27)292h31022H12H3(H232528)b1510
methyl2chloro5(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)benzoate
methyl2chloro5(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
MFCD28033697
ZINC000095471526
ZINC95471526
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