Vitas-M small molecule compound
2-({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylcyclohexyl)acetamide
Catalog ID
STK221892
SMILES O=C(NC1CCCCC1C)CSc1nnc(n1C)COc1cc(C)ccc1C
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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 C21H30N4O2S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O2S/c1-14-9-10-16(3)18(11-14)27-12-19-23-24-21(25(19)4)28-13-20(26)22-17-8-6-5-7-15(17)2/h9-11,15,17H,5-8,12-13H2,1-4H3,(H,22,26)InChIKey
WQMFQRKVFJDWLM-UHFFFAOYSA-NSynonyms
2((5((25DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)N(2METHYLCYCLOHEXYL)ACETAMIDE
2((5((25DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(2METHYLCYCLOHEXYL)ACETAMIDE
CC1CCCCC1NC(=O)CSC2=NN=C(N2C)COC3=C(C=CC(=C3)C)C
InChI=1SC21H30N4O2Sc11491016(3)18(1114)271219232421(25(19)4)281320(26)2217865715(17)2h9111517H581213H214H3(H2226)
MFCD07399513
ZINC000004816235
ZINC000004816242
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