Vitas-M small molecule compound

4-[(E)-(2-{(2E)-3-[4-(diethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 4-bromobenzoate

Catalog ID
STK672046
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1ccc(cc1)OC(=O)c1ccc(cc1)Br)/NC(=O)c1ccccc1)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 C34H31BrN4O4 MW 639.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31BrN4O4/c1-3-39(4-2)29-18-10-24(11-19-29)22-31(37-32(40)26-8-6-5-7-9-26)33(41)38-36-23-25-12-20-30(21-13-25)43-34(42)27-14-16-28(35)17-15-27/h5-23H,3-4H2,1-2H3,(H,37,40)(H,38,41)/b31-22+,36-23+
InChIKey
DPIQAOOPIOOLKQ-CQLRZOMNSA-N
Synonyms

(4((E)(((E)2benzamido3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)phenyl)4bromobenzoate
4((E)(2((2E)3(4(diethylamino)phenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)phenyl4bromobenzoate
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1ccc(cc1)OC(=O)c1ccc(cc1)Br)NC(=O)c1ccccc1)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)Br)NC(=O)C4=CC=CC=C4
InChI=1SC34H31BrN4O4c1339(42)29181024(111929)2231(3732(40)268657926)33(41)38362325122030(211325)4334(42)27141628(35)171527h523H34H212H3(H3740)(H3841)b3122+3623+
MFCD00822274
ZINC000033355027
ZINC150586609

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Available files

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