Vitas-M small molecule compound

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

Catalog ID
STK482375
SMILES C=CCn1c(SCC(=O)OC)nnc1c1ccoc1C

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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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-4-6-16-12(10-5-7-19-9(10)2)14-15-13(16)20-8-11(17)18-3/h4-5,7H,1,6,8H2,2-3H3
InChIKey
MGYXRHPPMWGDOA-UHFFFAOYSA-N
Synonyms

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)OC
InChI=1SC13H15N3O3Sc1461612(1057199(10)2)141513(16)20811(17)183h457H168H223H3
methyl((5(2methylfuran3yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((5(2METHYLFURAN3YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5(2METHYL(3FURYL))4PROP2ENYL124TRIAZOL3YLTHIO)ACETATE
MFCD06036804
ZINC000006700225
ZINC06700225
ZINC6700225

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Available files

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