Vitas-M small molecule compound
4-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-4-oxobutanoate
Catalog ID
STL059264
SMILES CCSc1nc2c(n1C(=O)CCC(=O)[O-])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 C13H13N2O3S MW 277.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3S/c1-2-19-13-14-9-5-3-4-6-10(9)15(13)11(16)7-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)/p-1InChIKey
UWYYLTCYJQWXDP-UHFFFAOYSA-MSynonyms
4(2(ethylsulfanyl)1Hbenzimidazol1yl)4oxobutanoate
4(2ETHYLSULFANYLBENZIMIDAZOL1YL)4OXOBUTANOATE
CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)(O)
CCSc1nc2c(n1C(=O)CCC(=O)(O))cccc2
CCSc1nc2c(n1C(=O)CCC(=O)(O))cccc2(Na+)
InChI=1SC13H14N2O3Sc121913149534610(9)15(13)11(16)7812(17)18h36H278H21H3(H1718)p1
sodium4(2(ethylthio)1Hbenzo(d)imidazol1yl)4oxobutanoate
ZINC000000501815
ZINC00501815
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