Vitas-M small molecule compound
2,6-di-tert-butyl-4-{[(5-{[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}phenolate
Catalog ID
STL148535
SMILES O=C(c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C)CSc1[nH+]nc(n1c1ccccc1)SCC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(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 C40H51N3O4S2 MW 701.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H51N3O4S2/c1-37(2,3)27-18-24(19-28(33(27)46)38(4,5)6)31(44)22-48-35-41-42-36(43(35)26-16-14-13-15-17-26)49-23-32(45)25-20-29(39(7,8)9)34(47)30(21-25)40(10,11)12/h13-21,46-47H,22-23H2,1-12H3InChIKey
WWLTZSQGCDRIQZ-UHFFFAOYSA-NSynonyms
342779-10-61(35ditertbutyl4hydroxyphenyl)2((5(2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl4phenyl124triazol3yl)sulfanyl)ethanone
26ditertbutyl4(((5((2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)phenolate
342779106
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChI=1SC40H51N3O4S2c137(23)271824(1928(33(27)46)38(45)6)31(44)224835414236(43(35)26161413151726)492332(45)252029(39(78)9)34(47)30(2125)40(1011)12h13214647H2223H2112H3
MFCD00182699
O=C(c1cc(c(c(c1)C(C)(C)C)(O))C(C)(C)C)CSc1(nH+)nc(n1c1ccccc1)SCC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
ZINC000150390671
ZINC150390671
Check stock
See real-time availability and sample size for STL148535 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.