Vitas-M small molecule compound
1-ethyl 5-methyl 2-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-butylpentanedioate
Catalog ID
STK079779
SMILES CCCCC(C(=O)OCC)(C(=O)CSc1nc2c([nH]1)cccc2)CCC(=O)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 C21H28N2O5S MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O5S/c1-4-6-12-21(19(26)28-5-2,13-11-18(25)27-3)17(24)14-29-20-22-15-9-7-8-10-16(15)23-20/h7-10H,4-6,11-14H2,1-3H3,(H,22,23)InChIKey
GCUXCNGNKNGXAO-UHFFFAOYSA-NSynonyms
1ETHYL5METHYL2((1HBENZIMIDAZOL2YLSULFANYL)ACETYL)2BUTYLPENTANEDIOATE
1OETHYL5OMETHYL2(2(1HBENZIMIDAZOL2YLSULFANYL)ACETYL)2BUTYLPENTANEDIOATE
CCCCC(C(=O)OCC)(C(=O)CSc1nc2c((nH)1)cccc2)CCC(=O)OC
CCCCC(CCC(=O)OC)(C(=O)CSC1=NC2=CC=CC=C2N1)C(=O)OCC
InChI=1SC21H28N2O5Sc1461221(19(26)2852131118(25)273)17(24)14292022159781016(15)2320h710H461114H213H3(H2223)
MFCD01556991
STK079779
ZINC000023485125
ZINC000023485129
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