Vitas-M small molecule compound
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STL186091
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)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 C30H34N4O2S MW 514.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O2S/c1-20-16-21(2)28(22(3)17-20)31-27(35)19-37-29-33-32-26(34(29)24-10-8-7-9-11-24)18-36-25-14-12-23(13-15-25)30(4,5)6/h7-17H,18-19H2,1-6H3,(H,31,35)InChIKey
RALRABKMJWACOZ-UHFFFAOYSA-NSynonyms
539808-75-82((5((4(TERTBUTYL)PHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)THIO)NMESITYLACETAMIDE
2((5((4TERTBUTYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
2((5((4tertbutylphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)N(246trimethylphenyl)acetamide
539808758
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C(C)(C)C)C
InChI=1SC30H34N4O2Sc1201621(2)28(22(3)1720)3127(35)193729333226(34(29)24108791124)183625141223(131525)30(45)6h717H1819H216H3(H3135)
MFCD03460702
ZINC000002507667
ZINC02507667
ZINC2507667
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