Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK218958
SMILES CCn1c(SCC(=O)c2ccccc2)nnc1COc1c(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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-4-24-19(13-26-20-15(2)9-8-10-16(20)3)22-23-21(24)27-14-18(25)17-11-6-5-7-12-17/h5-12H,4,13-14H2,1-3H3InChIKey
HXOAOTLQADMOGV-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=C(C=CC=C3C)C
InChI=1SC21H23N3O2Sc142419(13262015(2)981016(20)3)222321(24)271418(25)17116571217h512H41314H213H3
MFCD06000525
ZINC000002868458
ZINC02868458
ZINC2868458
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