Vitas-M small molecule compound

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

Catalog ID
STK482271
SMILES COC(=O)CSc1nnc(n1CC)Cc1cccs1

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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 C12H15N3O2S2 MW 297.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2S2/c1-3-15-10(7-9-5-4-6-18-9)13-14-12(15)19-8-11(16)17-2/h4-6H,3,7-8H2,1-2H3
InChIKey
LNROTDXBKJBIQD-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)OC)CC2=CC=CS2
InChI=1SC12H15N3O2S2c131510(79546189)131412(15)19811(16)172h46H378H212H3
methyl((4ethyl5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4ETHYL5(THIOPHEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(4ETHYL5(2THIENYLMETHYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06182687
ZINC000006741921
ZINC06741921
ZINC6741921

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Available files

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