Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

Catalog ID
STK245646
SMILES CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1COc1cc(C)ccc1C

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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 C24H28N4O2S MW 436.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O2S/c1-4-28-22(15-30-21-13-17(2)9-10-18(21)3)25-26-24(28)31-16-23(29)27-12-11-19-7-5-6-8-20(19)14-27/h5-10,13H,4,11-12,14-16H2,1-3H3
InChIKey
AEVQPQLACFZUBU-UHFFFAOYSA-N
Synonyms

1(34dihydro1Hisoquinolin2yl)2((5((25dimethylphenoxy)methyl)4ethyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDRO1HISOQUINOLIN2YL)2(5(25DIMETHYLPHENOXYMETHYL)4ETHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((5((25DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)COC4=C(C=CC(=C4)C)C
InChI=1SC24H28N4O2Sc142822(1530211317(2)91018(21)3)252624(28)311623(29)27121119756820(19)1427h51013H411121416H213H3
MFCD08670295
ZINC000009327729
ZINC09327729
ZINC9327729

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Available files

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