Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK337429
SMILES COc1cccc(c1)c1nnc(n1C)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-24-20(16-8-5-9-18(12-16)27-2)22-23-21(24)28-14-19(26)25-11-10-15-6-3-4-7-17(15)13-25/h3-9,12H,10-11,13-14H2,1-2H3InChIKey
NJZZCUOQKFQGTQ-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((5(3methoxyphenyl)4methyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDRO1HISOQUINOLIN2YL)2(5(3METHOXYPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(34dihydroisoquinolin2(1H)yl)2((5(3methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)OC
InChI=1SC21H22N4O2Sc12420(1685918(1216)272)222321(24)281419(26)25111015634717(15)1325h3912H10111314H212H3
MFCD05533335
ZINC000009204122
ZINC09204122
ZINC9204122
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