Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Catalog ID
STK807882
SMILES O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1nnc(n1C)COc1ccc2c(c1)OCO2
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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 C27H33N3O5S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5S/c1-26(2,3)18-10-16(11-19(24(18)32)27(4,5)6)20(31)14-36-25-29-28-23(30(25)7)13-33-17-8-9-21-22(12-17)35-15-34-21/h8-12,32H,13-15H2,1-7H3InChIKey
OKIMIFGPJICVDV-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)1(35ditertbutyl4hydroxyphenyl)ethanone
2((5(13benzodioxol5yloxymethyl)4methyl124triazol3yl)sulfanyl)1(35ditertbutyl4hydroxyphenyl)ethanone
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2C)COC3=CC4=C(C=C3)OCO4
InChI=1SC27H33N3O5Sc126(23)181016(1119(24(18)32)27(45)6)20(31)143625292823(30(25)7)133317892122(1217)35153421h81232H1315H217H3
MFCD18169564
ZINC000017043094
ZINC17043094
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