Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(2E)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl 3-bromobenzoate
Catalog ID
STK379684
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(c1)Br
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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 C29H22BrN3O5S MW 604.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN3O5S/c1-37-26-15-19(12-13-25(26)38-29(36)21-9-5-10-22(30)16-21)18-31-33-28(35)24(17-23-11-6-14-39-23)32-27(34)20-7-3-2-4-8-20/h2-18H,1H3,(H,32,34)(H,33,35)/b24-17+,31-18+InChIKey
NDEMEVJEOALOLR-UGWJVXAQSA-NSynonyms
(4((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)3bromobenzoate
2methoxy4((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl3bromobenzoate
4((1E)2((2E)2(PHENYLCARBONYLAMINO)3(2THIENYL)PROP2ENOYLAMINO)2AZAVINYL)2METHOXYPHENYL3BROMOBENZOATE
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC=CS2)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Br
COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(c1)Br
InChI=1SC29H22BrN3O5Sc137261519(121325(26)3829(36)21951022(30)1621)18313328(35)24(1723116143923)3227(34)207324820h218H1H3(H3234)(H3335)b2417+3118+
MFCD03834698
ZINC000059222101
ZINC102134894
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