Vitas-M small molecule compound
4-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK025418
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nnc1c1ccc(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)21-11-9-19(10-12-21)24-28-29-26(30(24)22-13-15-23(33-4)16-14-22)34-17-18-5-7-20(8-6-18)25(31)32/h5-16H,17H2,1-4H3,(H,31,32)InChIKey
RSDLHBSZKNQNFG-UHFFFAOYSA-NSynonyms
499103-41-24(((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)methyl)benzoicacid
4(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL2IUM3YL)SULFANYL)METHYL)BENZOATE
4(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)1H124TRIAZOL4IUM3YL)SULFANYLMETHYL)BENZOATE
CC(C)(C)C1=CC=C(C=C1)C2=(N+)(C(=NN2)SCC3=CC=C(C=C3)C(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H27N3O3Sc127(23)2111919(101221)24282926(30(24)22131523(334)161422)3417185720(8618)25(31)32h516H17H214H3(H3132)
STK025418
ZINC000001804764
ZINC1804764
Check stock
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Check stock on Vitas-MAvailable files
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