Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK065534
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-27(2,3)21-12-10-20(11-13-21)25-28-29-26(30(25)22-14-16-23(32-4)17-15-22)33-18-24(31)19-8-6-5-7-9-19/h5-17H,18H2,1-4H3
InChIKey
IRCZQGCESOYQRJ-UHFFFAOYSA-N
Synonyms
499103-33-2
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1phenylethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHAN1ONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
499103332
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H27N3O2Sc127(23)21121020(111321)25282926(30(25)22141623(324)171522)331824(31)198657919h517H18H214H3
MFCD03224019
STK065534
ZINC000001801401
ZINC01801401
ZINC1801401

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Available files

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