Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK674614
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2nc3c(o2)cccc3)c2nonc2N)ccc1OC
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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 C22H19N9O5S MW 521.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N9O5S/c1-33-16-8-7-12(9-17(16)34-2)10-24-27-21(32)18-14(31(30-26-18)20-19(23)28-36-29-20)11-37-22-25-13-5-3-4-6-15(13)35-22/h3-10H,11H2,1-2H3,(H2,23,28)(H,27,32)/b24-10+InChIKey
YWPAMFMBOCHGQJ-YSURURNPSA-NSynonyms
1(4amino125oxadiazol3yl)5((13benzoxazol2ylsulfanyl)methyl)N((E)(34dimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzoxazol2ylsulfanylmethyl)N((E)(34dimethoxyphenyl)methylideneamino)triazole4carboxamide
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NC5=CC=CC=C5O4)OC
COc1cc(C=NNC(=O)c2nnn(c2CSc2nc3c(o2)cccc3)c2nonc2N)ccc1OC
InChI=1SC22H19N9O5Sc133168712(917(16)342)10242721(32)1814(31(302618)2019(23)28362920)1137222513534615(13)3522h310H11H212H3(H22328)(H2732)b2410+
MFCD01460072
ZINC000100069732
ZINC100306043
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