Vitas-M small molecule compound

2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone

Catalog ID
STL026145
SMILES C=CCn1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccccc1OC

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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 C24H21N3O2S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O2S/c1-3-14-27-23(20-10-6-7-11-22(20)29-2)25-26-24(27)30-16-21(28)19-13-12-17-8-4-5-9-18(17)15-19/h3-13,15H,1,14,16H2,2H3
InChIKey
GRQXALVJHODWBL-UHFFFAOYSA-N
Synonyms
849034-24-8
2((4allyl5(2methoxyphenyl)4H124triazol3yl)thio)1(naphthalen2yl)ethanone
2((5(2METHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHAN1ONE
2((5(2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(naphthalen2yl)ethanone
2((5(2METHOXYPHENYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2((5(2METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2(5(2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(2NAPHTHYL)ETHAN1ONE
849034248
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC4=CC=CC=C4C=C3
InChI=1SC24H21N3O2Sc13142723(2010671122(20)292)252624(27)301621(28)19131217845918(17)1519h31315H11416H22H3
MFCD05518337
ZINC000005477611
ZINC05477611
ZINC5477611

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Available files

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