Vitas-M small molecule compound

4-[({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoic acid

Catalog ID
STK663535
SMILES OC(=O)c1ccc(cc1)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-27(2,3)21-13-15-23(16-14-21)33-17-24-28-29-26(30(24)22-7-5-4-6-8-22)34-18-19-9-11-20(12-10-19)25(31)32/h4-16H,17-18H2,1-3H3,(H,31,32)
InChIKey
UFBFHFBQPYKIOS-UHFFFAOYSA-N
Synonyms

4(((5((4tertbutylphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((5((4(TERTBUTYL)PHENOXY)METHYL)4PHENYL124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((5((4TERTBUTYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O
InChI=1SC27H27N3O3Sc127(23)21131523(161421)331724282926(30(24)227546822)34181991120(121019)25(31)32h416H1718H213H3(H3132)
MFCD01427464
ZINC000002189777
ZINC2189777

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Available files

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