Vitas-M small molecule compound
N-cyclohexyl-2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK222219
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)COc1ccc2c(c1)CCCC2
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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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-26-20(14-28-19-12-11-16-7-5-6-8-17(16)13-19)24-25-22(26)29-15-21(27)23-18-9-3-2-4-10-18/h11-13,18H,2-10,14-15H2,1H3,(H,23,27)InChIKey
BQUFVGGHERGIFS-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2CCCCC2)COC3=CC4=C(CCCC4)C=C3
InChI=1SC22H30N4O2Sc12620(142819121116756817(16)1319)242522(26)291521(27)231893241018h111318H2101415H21H3(H2327)
MFCD07399607
Ncyclohexyl2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)acetamide
Ncyclohexyl2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)acetamide
ZINC000004816410
ZINC04816410
ZINC4816410
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