Vitas-M small molecule compound

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

Catalog ID
STK470132
SMILES COC(=O)CSc1nnc(n1CC)COc1cc(C)ccc1C

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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 C16H21N3O3S MW 335.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O3S/c1-5-19-14(17-18-16(19)23-10-15(20)21-4)9-22-13-8-11(2)6-7-12(13)3/h6-8H,5,9-10H2,1-4H3
InChIKey
UZMIPOVGNAQELE-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)OC)COC2=C(C=CC(=C2)C)C
InChI=1SC16H21N3O3Sc151914(171816(19)231015(20)214)92213811(2)6712(13)3h68H5910H214H3
methyl((5((25dimethylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)acetate
methyl2((5((25dimethylphenoxy)methyl)4ethyl124triazol3yl)sulfanyl)acetate
METHYL2(5((25DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YLTHIO)ACETATE
MFCD07122048
ZINC000017070636
ZINC17070636

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Available files

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