Vitas-M small molecule compound
4-{(E)-[2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK549989
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)cc(c1OC(=O)C)OC
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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 C22H22N4O5S3 MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S3/c1-14(27)31-20-17(29-2)9-16(10-18(20)30-3)11-23-24-19(28)13-33-22-26-25-21(34-22)32-12-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,24,28)/b23-11+InChIKey
STNDWWNXKBQDJI-FOKLQQMPSA-NSynonyms
315200-91-0(4((E)((2((5benzylsulfanyl134thiadiazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenyl)acetate
(E)4((2(2((5(benzylthio)134thiadiazol2yl)thio)acetyl)hydrazono)methyl)26dimethoxyphenylacetate
315200910
4((E)(2(((5(benzylsulfanyl)134thiadiazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)OC
COc1cc(C=NNC(=O)CSc2nnc(s2)SCc2ccccc2)cc(c1OC(=O)C)OC
InChI=1SC22H22N4O5S3c114(27)312017(292)916(1018(20)303)11232419(28)133322262521(3422)3212157546815h411H1213H213H3(H2428)b2311+
MFCD02075652
ZINC000012560999
ZINC83315915
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