Vitas-M small molecule compound
2-{[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Catalog ID
STL186067
SMILES O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccc(cc1)C(C)(C)C)COc1ccccc1
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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 C27H25Cl2N3O2S MW 526.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2N3O2S/c1-27(2,3)19-10-12-20(13-11-19)32-25(16-34-21-7-5-4-6-8-21)30-31-26(32)35-17-24(33)18-9-14-22(28)23(29)15-18/h4-15H,16-17H2,1-3H3InChIKey
CCKFZQZTAIBLTJ-UHFFFAOYSA-NSynonyms
2((4(4TERTBUTYLPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)1(34DICHLOROPHENYL)ETHANONE
2((4(4tertbutylphenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)1(34dichlorophenyl)ethanone
CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)COC4=CC=CC=C4
InChI=1SC27H25Cl2N3O2Sc127(23)19101220(131119)3225(1634217546821)303126(32)351724(33)1891422(28)23(29)1518h415H1617H213H3
MFCD22387689
ZINC000002544677
ZINC2544677
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