Vitas-M small molecule compound
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[(2,5-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK246066
SMILES C=CCn1c(SCC(=O)N2CCCc3c2cccc3)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 C25H28N4O2S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S/c1-4-13-29-23(16-31-22-15-18(2)11-12-19(22)3)26-27-25(29)32-17-24(30)28-14-7-9-20-8-5-6-10-21(20)28/h4-6,8,10-12,15H,1,7,9,13-14,16-17H2,2-3H3InChIKey
BVUKJXUBSTZJRX-UHFFFAOYSA-NSynonyms
1(34dihydro2Hquinolin1yl)2((5((25dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDROQUINOLIN1(2H)YL)2((5((25DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
2(4ALLYL5(25DIMETHYLPHENOXYMETHYL)4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO2HQUINOLIN1YL)ETHANONE
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)N3CCCC4=CC=CC=C43
InChI=1SC25H28N4O2Sc14132923(1631221518(2)111219(22)3)262725(29)321724(30)281479208561021(20)28h468101215H17913141617H223H3
MFCD08670973
ZINC000009328746
ZINC09328746
ZINC9328746
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