Vitas-M small molecule compound
4-[(E)-(2-{(2E)-2-{[(2-chlorophenyl)carbonyl]amino}-3-[4-(diethylamino)phenyl]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK019687
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(CC)CC)/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C35H32ClN5O7 MW 670.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32ClN5O7/c1-4-40(5-2)26-15-10-23(11-16-26)20-30(38-33(42)28-8-6-7-9-29(28)36)34(43)39-37-22-24-12-19-31(32(21-24)47-3)48-35(44)25-13-17-27(18-14-25)41(45)46/h6-22H,4-5H2,1-3H3,(H,38,42)(H,39,43)/b30-20+,37-22+InChIKey
SOTFJPJGEZCEQS-USJSOUKPSA-NSynonyms
(4((E)(((E)2((2chlorobenzoyl)amino)3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((1E)2((2E)3(4(DIETHYLAMINO)PHENYL)2((2CHLOROPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)2AZAVINYL)2METHOXYPHENYL4NITROBENZOATE
4((E)(2((2E)2(((2CHLOROPHENYL)CARBONYL)AMINO)3(4(DIETHYLAMINO)PHENYL)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL4NITROBENZOATE
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC)NC(=O)C4=CC=CC=C4Cl
COc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(CC)CC)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC35H32ClN5O7c1440(52)26151023(111626)2030(3833(42)28867929(28)36)34(43)39372224121931(32(2124)473)4835(44)25131727(181425)41(45)46h622H45H213H3(H3842)(H3943)b3020+3722+
MFCD01129568
STK019687
ZINC000004045461
ZINC150619902
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