Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopentyl-4-ethyl-4H-1,2,4-triazole
Catalog ID
STK465455
SMILES CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)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 C20H22N4O2S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S2/c1-2-24-18(13-5-3-4-6-13)22-23-20(24)28-11-15-10-27-19(21-15)14-7-8-16-17(9-14)26-12-25-16/h7-10,13H,2-6,11-12H2,1H3InChIKey
ORJCQKSCAXLOFC-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5cyclopentyl4ethyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5cyclopentyl4ethyl4H124triazole
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CCCC5
InChI=1SC20H22N4O2S2c122418(13534613)222320(24)281115102719(2115)14781617(914)26122516h71013H261112H21H3
MFCD06141719
ZINC000017090061
ZINC17090061
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