Vitas-M small molecule compound
S-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl} cyclopropanecarbothioate
Catalog ID
STK445937
SMILES O=C(C1CC1)Sc1nnc(n1C)COc1cc(C)c(c(c1)C)Cl
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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 C16H18ClN3O2S MW 351.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O2S/c1-9-6-12(7-10(2)14(9)17)22-8-13-18-19-16(20(13)3)23-15(21)11-4-5-11/h6-7,11H,4-5,8H2,1-3H3InChIKey
PMZUIJTXYULWPE-UHFFFAOYSA-NSynonyms
5((4CHLORO35DIMETHYLPHENOXY)METHYL)4METHYL(124TRIAZOL3YLTHIO)CYCLOPROPYLKETONE
CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(N2C)SC(=O)C3CC3
InChI=1SC16H18ClN3O2Sc19612(710(2)14(9)17)22813181916(20(13)3)2315(21)114511h6711H458H213H3
MFCD04058454
S(5((4chloro35dimethylphenoxy)methyl)4methyl124triazol3yl)cyclopropanecarbothioate
S(5((4chloro35dimethylphenoxy)methyl)4methyl4H124triazol3yl)cyclopropanecarbothioate
ZINC000006399909
ZINC06399909
ZINC6399909
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