Vitas-M small molecule compound

1-(azepan-1-yl)-2-{[4-(2-methoxyethyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STL371868
SMILES COCCn1c(SCC(=O)N2CCCCCC2)nnc1CCc1ccccc1

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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 C21H30N4O2S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O2S/c1-27-16-15-25-19(12-11-18-9-5-4-6-10-18)22-23-21(25)28-17-20(26)24-13-7-2-3-8-14-24/h4-6,9-10H,2-3,7-8,11-17H2,1H3
InChIKey
CCBHSZRLPMUHRW-UHFFFAOYSA-N
Synonyms

1(((4(2METHOXYETHYL)5(2PHENYLETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AZEPANE
1(azepan1yl)2((4(2methoxyethyl)5(2phenylethyl)124triazol3yl)sulfanyl)ethanone
1(azepan1yl)2((4(2methoxyethyl)5(2phenylethyl)4H124triazol3yl)sulfanyl)ethanone
1(AZEPAN1YL)2((4(2METHOXYETHYL)5PHENETHYL124TRIAZOL3YL)SULFANYL)ETHANONE
COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)CCC3=CC=CC=C3
InChI=1SC21H30N4O2Sc12716152519(12111895461018)222321(25)281720(26)241372381424h46910H23781117H21H3
MFCD05155574
ZINC000004419073
ZINC04419073
ZINC4419073

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Available files

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