Vitas-M small molecule compound
5-{3-[(3-tert-butyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL527905
SMILES COc1c2c(CCN(C2C#CCOc2cc3c(cc2C(C)(C)C)oc2c3CCCC2)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-31(2,3)22-17-25-21(20-9-6-7-11-24(20)37-25)16-26(22)34-14-8-10-23-28-19(12-13-32(23)4)15-27-29(30(28)33-5)36-18-35-27/h15-17,23H,6-7,9,11-14,18H2,1-5H3InChIKey
DWNLKPNALZNWCU-UHFFFAOYSA-NSynonyms
3798984
5(3((3(tertbutyl)6789tetrahydrodibenzo(bd)furan2yl)oxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolinehydrochloride
5(3((3~(tert)butyl6789tetrahydrodibenzofuran2yl)oxy)prop1ynyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinoline
5(3((3tertbutyl6789tetrahydrodibenzo(bd)furan2yl)oxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
COc1c2c(CCN(C2C#CCOc2cc3c(cc2C(C)(C)C)oc2c3CCCC2)C)cc2c1OCO2Cl
InChI=1SC31H35NO5c131(23)22172521(209671124(20)3725)1626(22)3414810232819(121332(23)4)152729(30(28)335)36183527h151723H679111418H215H3
MFCD03661454
ZINC000020410578
ZINC000020410580
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