Vitas-M small molecule compound
2-{[4-(4-bromophenyl)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STL186072
SMILES Brc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1COc1cc(C)ccc1C(C)C
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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 C27H26BrN3O2S MW 536.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O2S/c1-18(2)23-14-9-19(3)15-25(23)33-16-26-29-30-27(31(26)22-12-10-21(28)11-13-22)34-17-24(32)20-7-5-4-6-8-20/h4-15,18H,16-17H2,1-3H3InChIKey
KMPRYRRCTGGWFF-UHFFFAOYSA-NSynonyms
2((4(4bromophenyl)5((5methyl2(propan2yl)phenoxy)methyl)4H124triazol3yl)sulfanyl)1phenylethanone
2((4(4bromophenyl)5((5methyl2propan2ylphenoxy)methyl)124triazol3yl)sulfanyl)1phenylethanone
CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CC=C4
InChI=1SC27H26BrN3O2Sc118(2)2314919(3)1525(23)331626293027(31(26)22121021(28)111322)341724(32)207546820h41518H1617H213H3
MFCD22387690
ZINC000101356184
ZINC101356184
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