Vitas-M small molecule compound
N-cycloheptyl-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK467929
SMILES O=C(NC1CCCCCC1)CSc1nnc(n1C)COc1cc(C)cc(c1)C
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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/c1-15-10-16(2)12-18(11-15)27-13-19-23-24-21(25(19)3)28-14-20(26)22-17-8-6-4-5-7-9-17/h10-12,17H,4-9,13-14H2,1-3H3,(H,22,26)InChIKey
IVLOVJCJJBLNRW-UHFFFAOYSA-NSynonyms
2(5((35DIMETHYLPHENOXY)METHYL)4METHYL(124TRIAZOL3YLTHIO))NCYCLOHEPTYLACETAMIDE
CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3CCCCCC3)C
InChI=1SC21H30N4O2Sc1151016(2)1218(1115)271319232421(25(19)3)281420(26)221786457917h101217H491314H213H3(H2226)
MFCD07042301
Ncycloheptyl2((5((35dimethylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)acetamide
Ncycloheptyl2((5((35dimethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000017082537
ZINC17082537
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