Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STL122394
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)c1ccc2c(c1)OCO2
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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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c1-22-17(12-7-8-14-15(9-12)25-11-24-14)20-21-18(22)26-10-16(23)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,19,23)InChIKey
NCJWBKAKAOYOPP-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)NCYCLOHEXYLACETAMIDE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)Ncyclohexylacetamide
CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(C=C3)OCO4
InChI=1SC18H22N4O3Sc12217(12781415(912)25112414)202118(22)261016(23)19135324613h7913H261011H21H3(H1923)
MFCD04206986
ZINC000001325419
ZINC01325419
ZINC1325419
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