Vitas-M small molecule compound
ethyl 4-{[(3E)-3-{2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene}butanoyl]amino}benzoate
Catalog ID
STK057737
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C/C(=N/NC(=O)C(=O)NC1CCCCC1)/C
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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 C21H28N4O5 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O5/c1-3-30-21(29)15-9-11-17(12-10-15)22-18(26)13-14(2)24-25-20(28)19(27)23-16-7-5-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,22,26)(H,23,27)(H,25,28)/b24-14+InChIKey
YLROSSBUSBONGH-ZVHZXABRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC(=NNC(=O)C(=O)NC2CCCCC2)C
CCOC(=O)c1ccc(cc1)NC(=O)CC(=NNC(=O)C(=O)NC1CCCCC1)C
ETHYL4(((3E)3((2(CYCLOHEXYLAMINO)2OXOACETYL)HYDRAZINYLIDENE)BUTANOYL)AMINO)BENZOATE
ETHYL4(((3E)3(2((CYCLOHEXYLAMINO)(OXO)ACETYL)HYDRAZINYLIDENE)BUTANOYL)AMINO)BENZOATE
ETHYL4((3E)4((NCYCLOHEXYLCARBAMOYL)CARBONYLAMINO)3METHYL4AZABUT3ENOYLAMINO)BENZOATE
InChI=1SC21H28N4O5c133021(29)1591117(121015)2218(26)1314(2)242520(28)19(27)23167546816h91216H3813H212H3(H2226)(H2327)(H2528)b2414+
MFCD00511630
STK057737
ZINC000005316085
ZINC101452039
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