Vitas-M small molecule compound
methyl 4-[(E)-(2-{5-[(3-chloro-2-methylphenyl)amino]-5-oxopentanoyl}hydrazinylidene)methyl]benzoate
Catalog ID
STK035414
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CCCC(=O)Nc1cccc(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 C21H22ClN3O4 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4/c1-14-17(22)5-3-6-18(14)24-19(26)7-4-8-20(27)25-23-13-15-9-11-16(12-10-15)21(28)29-2/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,24,26)(H,25,27)/b23-13+InChIKey
MXOXMJRCEZEKIP-YDZHTSKRSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)CCCC(=O)NN=CC2=CC=C(C=C2)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CCCC(=O)Nc1cccc(c1C)Cl
InChI=1SC21H22ClN3O4c11417(22)53618(14)2419(26)74820(27)2523131591116(121015)21(28)292h356913H478H212H3(H2426)(H2527)b2313+
methyl4((E)((5(3chloro2methylanilino)5oxopentanoyl)hydrazinylidene)methyl)benzoate
METHYL4((E)(2(5((3CHLORO2METHYLPHENYL)AMINO)5OXOPENTANOYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD01426436
STK035414
ZINC000004614844
ZINC33547687
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