Vitas-M small molecule compound
5-[3-(1H-benzimidazol-2-ylsulfanyl)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL549261
SMILES COc1c2c(CCN(C2C#CCSc2nc3c([nH]2)cccc3)C)cc2c1OCO2
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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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-25-10-9-14-12-18-20(28-13-27-18)21(26-2)19(14)17(25)8-5-11-29-22-23-15-6-3-4-7-16(15)24-22/h3-4,6-7,12,17H,9-11,13H2,1-2H3,(H,23,24)InChIKey
BMYNTGHTXHBDIE-UHFFFAOYSA-NSynonyms
400786-23-43830550
400786234
5(3((1Hbenzo(d)imidazol2yl)thio)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(1~(H)benzimidazol2ylsulfanyl)prop1ynyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinoline
5(3(1Hbenzimidazol2ylsulfanyl)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(1HBENZIMIDAZOL2YLSULFANYL)PROP1YNYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
COc1c2c(CCN(C2C#CCSc2nc3c((nH)2)cccc3)C)cc2c1OCO2
InChI=1SC22H21N3O3Sc12510914121820(28132718)21(262)19(14)17(25)851129222315634716(15)2422h34671217H91113H212H3(H2324)
MFCD02925193
ZINC000020411610
ZINC000020411613
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