Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK117616
SMILES O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1C)COc1c(C)cccc1C
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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 C21H23ClN4O2S MW 430.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2S/c1-13-7-5-8-14(2)20(13)28-11-18-24-25-21(26(18)4)29-12-19(27)23-17-10-6-9-16(22)15(17)3/h5-10H,11-12H2,1-4H3,(H,23,27)InChIKey
FJFXWMJGENYTAQ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C(=CC=C3)Cl)C
InChI=1SC21H23ClN4O2Sc11375814(2)20(13)281118242521(26(18)4)291219(27)2317106916(22)15(17)3h510H1112H214H3(H2327)
MFCD04128198
N(3CHLORO2METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO2METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000682102
ZINC00682102
ZINC682102
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