Vitas-M small molecule compound
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-ethoxyphenyl furan-2-carboxylate
Catalog ID
STK742353
SMILES CCOc1cc(/C=N/Nc2nc3c(s2)cccc3)ccc1OC(=O)c1ccco1
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-2-26-18-12-14(9-10-16(18)28-20(25)17-7-5-11-27-17)13-22-24-21-23-15-6-3-4-8-19(15)29-21/h3-13H,2H2,1H3,(H,23,24)/b22-13+InChIKey
XJHCNHIIMZFBRU-LPYMAVHISA-NSynonyms
(4((E)(13benzothiazol2ylhydrazinylidene)methyl)2ethoxyphenyl)furan2carboxylate
4((E)(2(13benzothiazol2yl)hydrazinylidene)methyl)2ethoxyphenylfuran2carboxylate
CCOC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CO4
CCOc1cc(C=NNc2nc3c(s2)cccc3)ccc1OC(=O)c1ccco1
InChI=1SC21H17N3O4Sc1226181214(91016(18)2820(25)1775112717)132224212315634819(15)2921h313H2H21H3(H2324)b2213+
MFCD01026952
ZINC000004686966
ZINC33930939
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