Vitas-M small molecule compound
5-[(E)-{2-[(1H-3,1-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenolate
Catalog ID
STL046260
SMILES COc1ccc(cc1[O-])/C=N/NC(=O)CSc1[nH]c2c([nH+]1)cccc2
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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 C17H16N4O3S MW 356.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S/c1-24-15-7-6-11(8-14(15)22)9-18-21-16(23)10-25-17-19-12-4-2-3-5-13(12)20-17/h2-9,22H,10H2,1H3,(H,19,20)(H,21,23)/b18-9+InChIKey
WJSYLLMMKWZXJD-GIJQJNRQSA-NSynonyms
358676-53-62(1HBENZIMIDAZOL2YLSULFANYL)N((E)(3HYDROXY4METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
358676536
5((E)((2(1Hbenzimidazol1ium2ylsulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenolate
5((E)(2((1H31benzimidazol3ium2ylsulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenolate
COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3(NH2+)2)(O)
COc1ccc(cc1(O))C=NNC(=O)CSc1(nH)c2c((nH+)1)cccc2
InChI=1SC17H16N4O3Sc124157611(814(15)22)9182116(23)1025171912423513(12)2017h2922H10H21H3(H1920)(H2123)b189+
MFCD01126879
ZINC000005030908
ZINC33329859
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