Vitas-M small molecule compound
3-[(4-tert-butylphenoxy)methyl]-4-phenyl-5-{[2-(phenylsulfonyl)ethyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK114013
SMILES CC(c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCCS(=O)(=O)c1ccccc1)(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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-27(2,3)21-14-16-23(17-15-21)33-20-25-28-29-26(30(25)22-10-6-4-7-11-22)34-18-19-35(31,32)24-12-8-5-9-13-24/h4-17H,18-20H2,1-3H3InChIKey
JXZNDEMTNHXKSG-UHFFFAOYSA-NSynonyms
((2(5((4(TERTBUTYL)PHENOXY)METHYL)4PHENYL124TRIAZOL3YLTHIO)ETHYL)SULFONYL)BENZENE
3((4TERTBUTYLPHENOXY)METHYL)4PHENYL5((2(PHENYLSULFONYL)ETHYL)SULFANYL)4H124TRIAZOLE
3(2(BENZENESULFONYL)ETHYLSULFANYL)5((4TERTBUTYLPHENOXY)METHYL)4PHENYL124TRIAZOLE
CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCCS(=O)(=O)C4=CC=CC=C4
InChI=1SC27H29N3O3S2c127(23)21141623(171521)332025282926(30(25)22106471122)34181935(3132)24128591324h417H1820H213H3
MFCD01899723
ZINC000009763669
ZINC09763669
ZINC9763669
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