Vitas-M small molecule compound
ethyl 2-chloro-5-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL295631
SMILES CCOC(=O)c1cc(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)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 C20H15Cl2N3O5 MW 448.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2N3O5/c1-2-30-19(28)14-9-12(5-8-16(14)22)23-10-15-17(26)24-20(29)25(18(15)27)13-6-3-11(21)4-7-13/h3-10,23H,2H2,1H3,(H,24,26,29)/b15-10-InChIKey
MHHMPTWBKFKKAR-GDNBJRDFSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl
CCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)ccc1Cl
ethyl2chloro5(((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)amino)benzoate
ethyl2chloro5(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
InChI=1SC20H15Cl2N3O5c123019(28)14912(5816(14)22)23101517(26)2420(29)25(18(15)27)136311(21)4713h31023H2H21H3(H242629)b1510
MFCD01178411
ZINC000095471054
ZINC95471054
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