Vitas-M small molecule compound

5-[3-(1,3-benzothiazol-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
STL536730
SMILES COc1c2c(CCN(C2C#CCSc2nc3c(s2)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 C22H20N2O3S2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S2/c1-24-10-9-14-12-17-20(27-13-26-17)21(25-2)19(14)16(24)7-5-11-28-22-23-15-6-3-4-8-18(15)29-22/h3-4,6,8,12,16H,9-11,13H2,1-2H3
InChIKey
AFLVWZIUIJSHJS-UHFFFAOYSA-N
Synonyms
708296-23-5
3794195
5(3(13benzothiazol2ylsulfanyl)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(13benzothiazol2ylsulfanyl)prop1ynyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinoline
5(3(13BENZOTHIAZOL2YLSULFANYL)PROP1YNYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
5(3(benzo(d)thiazol2ylthio)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
708296235
InChI=1SC22H20N2O3S2c12410914121720(27132617)21(252)19(14)16(24)751128222315634818(15)2922h34681216H91113H212H3
MFCD03006198
ZINC000020411840
ZINC000020411843

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Available files

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