Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-2-{(2E)-2-[3-ethoxy-4-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)benzylidene]hydrazinyl}-2-oxoacetamide
Catalog ID
STK096531
SMILES CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(c(c2)Cl)C)ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F
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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 C27H24ClF3N4O5 MW 576.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClF3N4O5/c1-3-39-23-11-17(14-32-35-26(38)25(37)34-20-9-7-16(2)21(28)13-20)8-10-22(23)40-15-24(36)33-19-6-4-5-18(12-19)27(29,30)31/h4-14H,3,15H2,1-2H3,(H,33,36)(H,34,37)(H,35,38)/b32-14+InChIKey
IJSTXFVZLRSCNA-HIWRWHBISA-NSynonyms
CCOC1=C(C=CC(=C1)C=NNC(=O)C(=O)NC2=CC(=C(C=C2)C)Cl)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F
CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(c(c2)Cl)C)ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F
InChI=1SC27H24ClF3N4O5c1339231117(14323526(38)25(37)34209716(2)21(28)1320)81022(23)401524(36)331964518(1219)27(2930)31h414H315H212H3(H3336)(H3437)(H3538)b3214+
MFCD04481807
N(3CHLORO4METHYLPHENYL)2((2E)2(3ETHOXY4(2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHOXY)BENZYLIDENE)HYDRAZINYL)2OXOACETAMIDE
N(3chloro4methylphenyl)N((E)(3ethoxy4(2oxo2(3(trifluoromethyl)anilino)ethoxy)phenyl)methylideneamino)oxamide
STK096531
ZINC000097959419
ZINC101498914
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