Vitas-M small molecule compound

ethyl ({5-[4-(cyclopentyloxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

Catalog ID
STK467557
SMILES CCn1c(SCC(=O)OCC)nnc1c1ccc(cc1)OC1CCCC1

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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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-3-22-18(20-21-19(22)26-13-17(23)24-4-2)14-9-11-16(12-10-14)25-15-7-5-6-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKey
ABTPZZAVHIYVIK-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=C(C=C2)OC3CCCC3
ethyl((5(4(cyclopentyloxy)phenyl)4ethyl4H124triazol3yl)sulfanyl)acetate
ethyl2((5(4cyclopentyloxyphenyl)4ethyl124triazol3yl)sulfanyl)acetate
ETHYL2(5(4CYCLOPENTYLOXYPHENYL)4ETHYL124TRIAZOL3YLTHIO)ACETATE
InChI=1SC19H25N3O3Sc132218(202119(22)261317(23)2442)1491116(121014)2515756815h91215H3813H212H3
MFCD06074006
ZINC000017076816
ZINC17076816

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Available files

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