Vitas-M small molecule compound

4-[(E)-{2-[(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenyl acetate

Catalog ID
STK064554
SMILES COc1cc(/C=N/NC(=O)CSc2nc3c([nH]2)cccc3)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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-12(25)29-19-16(27-2)8-13(9-17(19)28-3)10-21-24-18(26)11-30-20-22-14-6-4-5-7-15(14)23-20/h4-10H,11H2,1-3H3,(H,22,23)(H,24,26)/b21-10+
InChIKey
ZZGIGEYAALSQFD-UFFVCSGVSA-N
Synonyms
305338-98-1
(4((E)((2(1HBENZIMIDAZOL2YLSULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)26DIMETHOXYPHENYL)ACETATE
(E)4((2(2((1Hbenzo(d)imidazol2yl)thio)acetyl)hydrazono)methyl)26dimethoxyphenylacetate
305338981
4((1E)2(2BENZIMIDAZOL2YLTHIOACETYLAMINO)2AZAVINYL)26DIMETHOXYPHENYLACETATE
4((E)(2((1HBENZIMIDAZOL2YLSULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)26DIMETHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)OC
COc1cc(C=NNC(=O)CSc2nc3c((nH)2)cccc3)cc(c1OC(=O)C)OC
InChI=1SC20H20N4O5Sc112(25)291916(272)813(917(19)283)10212418(26)1130202214645715(14)2320h410H11H213H3(H2223)(H2426)b2110+
MFCD01533139
STK064554
ZINC000001475194
ZINC33341604

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Available files

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