Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK278826
SMILES Cc1ccc(c(c1)C)OCc1nnc(n1C(C)C)SCC(=O)N1CCc2c(C1)cccc2
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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 C25H30N4O2S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S/c1-17(2)29-23(15-31-22-10-9-18(3)13-19(22)4)26-27-25(29)32-16-24(30)28-12-11-20-7-5-6-8-21(20)14-28/h5-10,13,17H,11-12,14-16H2,1-4H3InChIKey
WJMCXZQNBQOESV-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((5((24dimethylphenoxy)methyl)4propan2yl124triazol3yl)sulfanyl)ethanone
1(34DIHYDRO1HISOQUINOLIN2YL)2(5(24DIMETHYLPHENOXYMETHYL)4ISOPROPYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(34dihydroisoquinolin2(1H)yl)2((5((24dimethylphenoxy)methyl)4(propan2yl)4H124triazol3yl)sulfanyl)ethanone
CC1=CC(=C(C=C1)OCC2=NN=C(N2C(C)C)SCC(=O)N3CCC4=CC=CC=C4C3)C
InChI=1SC25H30N4O2Sc117(2)2923(15312210918(3)1319(22)4)262725(29)321624(30)28121120756821(20)1428h5101317H11121416H214H3
MFCD09269597
ZINC000013941842
ZINC13941842
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