Vitas-M small molecule compound

propan-2-yl (2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate

Catalog ID
STL450783
SMILES COc1cccc(c1)OCCSc1nc2c(n1CC(=O)OC(C)C)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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-15(2)27-20(24)14-23-19-10-5-4-9-18(19)22-21(23)28-12-11-26-17-8-6-7-16(13-17)25-3/h4-10,13,15H,11-12,14H2,1-3H3
InChIKey
VCYBQOXLQNRNPV-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)CN1C2=CC=CC=C2N=C1SCCOC3=CC=CC(=C3)OC
InChI=1SC21H24N2O4Sc115(2)2720(24)1423191054918(19)2221(23)281211261786716(1317)253h4101315H111214H213H3
METHYLETHYL2(2(2(3METHOXYPHENOXY)ETHYLTHIO)BENZIMIDAZOLYL)ACETATE
MFCD10044594
propan2yl(2((2(3methoxyphenoxy)ethyl)sulfanyl)1Hbenzimidazol1yl)acetate
propan2yl2(2(2(3methoxyphenoxy)ethylsulfanyl)benzimidazol1yl)acetate
ZINC000012062312
ZINC12062312

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.