Vitas-M small molecule compound
5-{3-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL527997
SMILES COc1c2c(CCN(C2C#CCOc2cc(C)c(cc2C(C)C)Cl)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 C25H28ClNO4 MW 441.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClNO4/c1-15(2)18-13-19(26)16(3)11-21(18)29-10-6-7-20-23-17(8-9-27(20)4)12-22-24(25(23)28-5)31-14-30-22/h11-13,15,20H,8-10,14H2,1-5H3InChIKey
SCRVHZJAEBYCPQ-UHFFFAOYSA-NSynonyms
3742394
5(3(4chloro2isopropyl5methylphenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolinehydrochloride
5(3(4chloro5methyl2(propan2yl)phenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(4chloro5methyl2propan2ylphenoxy)prop1ynyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinoline
5(3(4CHLORO5METHYL2PROPAN2YLPHENOXY)PROP1YNYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
COc1c2c(CCN(C2C#CCOc2cc(C)c(cc2C(C)C)Cl)C)cc2c1OCO2Cl
InChI=1SC25H28ClNO4c115(2)181319(26)16(3)1121(18)291067202317(8927(20)4)122224(25(23)285)31143022h11131520H81014H215H3
MFCD03661162
ZINC000020410457
ZINC000020410459
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