Vitas-M small molecule compound

N-(2,4-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK400755
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)C)nnc1COc1ccccc1

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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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-4-25-19(13-27-17-8-6-5-7-9-17)23-24-21(25)28-14-20(26)22-18-11-10-15(2)12-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey
LKVSQEPTGZKAPM-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)C)COC3=CC=CC=C3
InChI=1SC21H24N4O2Sc142519(1327178657917)232421(25)281420(26)2218111015(2)1216(18)3h512H41314H213H3(H2226)
MFCD04339512
N(24dimethylphenyl)2((4ethyl5(phenoxymethyl)124triazol3yl)sulfanyl)acetamide
N(24dimethylphenyl)2((4ethyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetamide
N(24DIMETHYLPHENYL)2(4ETHYL5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000008090370
ZINC08090370
ZINC8090370

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.