Vitas-M small molecule compound

ethyl 3-{[({[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}-4-methylbenzoate

Catalog ID
STK736268
SMILES CCOC(=O)c1ccc(c(c1)CNC(=O)CSc1nnc(o1)c1ccc(cc1)C(C)(C)C)C

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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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c1-6-31-23(30)18-8-7-16(2)19(13-18)14-26-21(29)15-33-24-28-27-22(32-24)17-9-11-20(12-10-17)25(3,4)5/h7-13H,6,14-15H2,1-5H3,(H,26,29)
InChIKey
OFXLHCGWLJUJDL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C
ethyl3(((((5(4tertbutylphenyl)134oxadiazol2yl)sulfanyl)acetyl)amino)methyl)4methylbenzoate
ETHYL3(((2((5(4TERTBUTYLPHENYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)METHYL)4METHYLBENZOATE
InChI=1SC25H29N3O4Sc163123(30)188716(2)19(1318)142621(29)153324282722(3224)1791120(121017)25(34)5h713H61415H215H3(H2629)
MFCD07021971
ZINC000012410900
ZINC12410900

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Available files

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