Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK023583
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)OC)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-28(2,3)21-10-6-20(7-11-21)26-29-30-27(31(26)22-12-16-24(34-5)17-13-22)35-18-25(32)19-8-14-23(33-4)15-9-19/h6-17H,18H2,1-5H3InChIKey
NGCZVEKTGRKDHU-UHFFFAOYSA-NSynonyms
499103-02-52((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHAN1ONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
499103025
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)OC)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H29N3O3Sc128(23)2110620(71121)26293027(31(26)22121624(345)171322)351825(32)1981423(334)15919h617H18H215H3
MFCD03223959
STK023583
ZINC000001795013
ZINC01795013
ZINC1795013
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.