Vitas-M small molecule compound

2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone

Catalog ID
STK018585
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccncc1

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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 C26H20N4OS MW 436.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4OS/c1-18-6-10-23(11-7-18)30-25(20-12-14-27-15-13-20)28-29-26(30)32-17-24(31)22-9-8-19-4-2-3-5-21(19)16-22/h2-16H,17H2,1H3
InChIKey
QEUAOTZHYSKYOA-UHFFFAOYSA-N
Synonyms
499124-86-6
1(naphthalen2yl)2((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)ethanone
2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHAN1ONE
2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHANONE
2((4(4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2(4(4METHYLPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))1(2NAPHTHYL)ETHAN1ONE
499124866
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5
Cc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccncc1
InChI=1SC26H20N4OSc11861023(11718)3025(20121427151320)282926(30)321724(31)229819423521(19)1622h216H17H21H3
MFCD03224384
STK018585
ZINC000001088880
ZINC01088880
ZINC1088880

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.