Vitas-M small molecule compound

methyl {[5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK482293
SMILES C=CCn1c(SCC(=O)OC)nnc1C1CCCC1

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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 C13H19N3O2S MW 281.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3O2S/c1-3-8-16-12(10-6-4-5-7-10)14-15-13(16)19-9-11(17)18-2/h3,10H,1,4-9H2,2H3
InChIKey
QARZGPOUYKAWFE-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=NN=C(N1CC=C)C2CCCC2
InChI=1SC13H19N3O2Sc1381612(10645710)141513(16)19911(17)182h310H149H22H3
methyl((5cyclopentyl4(prop2en1yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((5CYCLOPENTYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5CYCLOPENTYL4PROP2ENYL124TRIAZOL3YLTHIO)ACETATE
MFCD06106870
ZINC000006731542
ZINC06731542
ZINC6731542

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Available files

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