Vitas-M small molecule compound

3-(4-tert-butylphenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STK567830
SMILES CC(c1ccc(cc1)c1nnc(n1c1ccccc1)SC/C=C/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 C27H27N3S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3S/c1-27(2,3)23-18-16-22(17-19-23)25-28-29-26(30(25)24-14-8-5-9-15-24)31-20-10-13-21-11-6-4-7-12-21/h4-19H,20H2,1-3H3/b13-10+
InChIKey
XDIVCUJRLQBYDE-JLHYYAGUSA-N
Synonyms
862116-00-5
3((2E)3PHENYLPROP2ENYLTHIO)5(4(TERTBUTYL)PHENYL)4PHENYL124TRIAZOLE
3(4(tertbutyl)phenyl)5(cinnamylthio)4phenyl4H124triazole
3(4tertbutylphenyl)4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
862116005
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=CC4=CC=CC=C4
CC(c1ccc(cc1)c1nnc(n1c1ccccc1)SCC=Cc1ccccc1)(C)C
InChI=1SC27H27N3Sc127(23)23181622(171923)25282926(30(25)24148591524)3120101321116471221h419H20H213H3b1310+
MFCD05687014
ZINC000005485023
ZINC05485023
ZINC5485023

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Available files

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