Vitas-M small molecule compound
4-[(E)-(2-{(2Z)-3-[4-(dimethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-bromobenzoate
Catalog ID
STL169584
SMILES COc1cc(/C=N/NC(=O)/C(=C/c2ccc(cc2)N(C)C)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br
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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 C33H29BrN4O5 MW 641.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN4O5/c1-38(2)25-16-13-22(14-17-25)19-28(36-31(39)24-9-5-4-6-10-24)32(40)37-35-21-23-15-18-29(30(20-23)42-3)43-33(41)26-11-7-8-12-27(26)34/h4-21H,1-3H3,(H,36,39)(H,37,40)/b28-19-,35-21+InChIKey
QZYKNVQNXBVJCI-XSYXJYRBSA-NSynonyms
(4((E)(((Z)2benzamido3(4(dimethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)2bromobenzoate
4((E)(2((2Z)3(4(dimethylamino)phenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl2bromobenzoate
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Br)OC)NC(=O)C4=CC=CC=C4
COc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(C)C)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br
InChI=1SC33H29BrN4O5c138(2)25161322(141725)1928(3631(39)2495461024)32(40)37352123151829(30(2023)423)4333(41)2611781227(26)34h421H13H3(H3639)(H3740)b28193521+
MFCD13962229
ZINC000097971096
ZINC150472117
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