Vitas-M small molecule compound

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

Catalog ID
STK288985
SMILES COc1cc(ccc1OC)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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-25-21(16-8-9-18(28-2)19(12-16)29-3)23-24-22(25)30-14-20(27)26-11-10-15-6-4-5-7-17(15)13-26/h4-9,12H,10-11,13-14H2,1-3H3
InChIKey
XOTSAMCLBHZHRQ-UHFFFAOYSA-N
Synonyms

1(34dihydro1Hisoquinolin2yl)2((5(34dimethoxyphenyl)4methyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDRO1HISOQUINOLIN2YL)2(5(34DIMETHOXYPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((5(34DIMETHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=C(C=C4)OC)OC
InChI=1SC22H24N4O3Sc12521(168918(282)19(1216)293)232422(25)301420(27)26111015645717(15)1326h4912H10111314H213H3
MFCD09039685
ZINC000013568940
ZINC13568940

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Available files

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