Vitas-M small molecule compound

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

Catalog ID
STK470119
SMILES COC(=O)CSc1nnc(n1CC1CCCO1)c1ccoc1C

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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 C15H19N3O4S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O4S/c1-10-12(5-7-21-10)14-16-17-15(23-9-13(19)20-2)18(14)8-11-4-3-6-22-11/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKey
ZFWNGPFPPRMCKO-UHFFFAOYSA-N
Synonyms

CC1=C(C=CO1)C2=NN=C(N2CC3CCCO3)SCC(=O)OC
InChI=1SC15H19N3O4Sc11012(572110)14161715(23913(19)202)18(14)8114362211h5711H34689H212H3
methyl((5(2methylfuran3yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetate
methyl2((5(2methylfuran3yl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetate
METHYL2(5(2METHYL(3FURYL))4(OXOLAN2YLMETHYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06035708
ZINC000017070882
ZINC000017070883

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Available files

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