Vitas-M small molecule compound

3-hexyl-5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]dihydrofuran-2(3H)-one (non-preferred name)

Catalog ID
STK830674
SMILES CCCCCCC1CC(OC1=O)CSc1nnc[nH]1

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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 C13H21N3O2S MW 283.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKey
KDNSRQZQDQQWDU-UHFFFAOYSA-N
Synonyms
334506-86-4
(3R5R)3HEXYL5((1H124TRIAZOL5YLSULFANYL)METHYL)DIHYDROFURAN2(3H)ONE(NONPREFERREDNAME)
(3S5S)3HEXYL5((1H124TRIAZOL5YLSULFANYL)METHYL)DIHYDROFURAN2(3H)ONE(NONPREFERREDNAME)
334506864
3HEXYL5((1H124TRIAZOL5YLTHIO)METHYL)2OXOLANONE
3HEXYL5((1H124TRIAZOL5YLTHIO)METHYL)TETRAHYDROFURAN2ONE
3hexyl5((4H124triazol3ylsulfanyl)methyl)dihydrofuran2(3H)one(nonpreferredname)
3HEXYL5(1H124TRIAZOL5YLSULFANYLMETHYL)OXOLAN2ONE
3HEXYL5(4H(124)TRIAZOL3YLSULFANYLMETHYL)DIHYDROFURAN2ONE
3HEXYL5(4H124TRIAZOL3YLTHIOMETHYL)345TRIHYDROFURAN2ONE
5(((4H124triazol3yl)thio)methyl)3hexyldihydrofuran2(3H)one
CCCCCCC1CC(OC1=O)CSc1nnc(nH)1
CCCCCCC1CC(OC1=O)CSC2=NC=NN2
InChI=1SC13H21N3O2Sc12345610711(1812(10)17)81913149151613h911H28H21H3(H141516)
MFCD01817219
ZINC000006549689
ZINC000006549699

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Available files

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