Vitas-M small molecule compound

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

Catalog ID
STL049253
SMILES C=CCn1c(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 C23H25N3OS MW 391.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3OS/c1-5-15-26-21(18-11-13-19(14-12-18)23(2,3)4)24-25-22(26)28-16-20(27)17-9-7-6-8-10-17/h5-14H,1,15-16H2,2-4H3
InChIKey
BMKRHMAPWQRRPT-UHFFFAOYSA-N
Synonyms
849031-18-1
2((4allyl5(4(tertbutyl)phenyl)4H124triazol3yl)thio)1phenylethanone
2((5(4TERTBUTYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHAN1ONE
2((5(4tertbutylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5(4TERTBUTYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(4(TERTBUTYL)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
849031181
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC23H25N3OSc15152621(18111319(141218)23(23)4)242522(26)281620(27)1797681017h514H11516H224H3
MFCD05681915
ZINC000002454283
ZINC02454283
ZINC2454283

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Available files

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