Vitas-M small molecule compound
4-[(E)-(2-{(2E)-2-{[(2-chlorophenyl)carbonyl]amino}-3-[4-(diethylamino)phenyl]prop-2-enoyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK079887
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1Cl)CC
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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 C34H30ClN5O6 MW 640.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30ClN5O6/c1-3-39(4-2)26-15-9-23(10-16-26)21-31(37-32(41)29-7-5-6-8-30(29)35)33(42)38-36-22-24-11-19-28(20-12-24)46-34(43)25-13-17-27(18-14-25)40(44)45/h5-22H,3-4H2,1-2H3,(H,37,41)(H,38,42)/b31-21+,36-22+InChIKey
JMFDLVXMNQSTJC-KGZFYWGGSA-NSynonyms
(4((E)(((E)2((2chlorobenzoyl)amino)3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
4((1E)2((2E)3(4(DIETHYLAMINO)PHENYL)2((2CHLOROPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)2AZAVINYL)PHENYL4NITROBENZOATE
4((E)(2((2E)2(((2CHLOROPHENYL)CARBONYL)AMINO)3(4(DIETHYLAMINO)PHENYL)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1ccc(cc1)OC(=O)c1ccc(cc1)(N+)(=O)(O))NC(=O)c1ccccc1Cl)CC
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))NC(=O)C4=CC=CC=C4Cl
InChI=1SC34H30ClN5O6c1339(42)2615923(101626)2131(3732(41)29756830(29)35)33(42)38362224111928(201224)4634(43)25131727(181425)40(44)45h522H34H212H3(H3741)(H3842)b3121+3622+
MFCD01129558
STK079887
ZINC000004045455
ZINC150610433
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