Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-2-yl{4-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)prop-2-yn-1-yl]piperazin-1-yl}methanone
Catalog ID
STK730970
SMILES O=C(C1COc2c(O1)cccc2)N1CCN(CC1)CC#CC1(C)CCCC(O1)(C)C
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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 C24H32N2O4 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4/c1-23(2)10-6-11-24(3,30-23)12-7-13-25-14-16-26(17-15-25)22(27)21-18-28-19-8-4-5-9-20(19)29-21/h4-5,8-9,21H,6,10-11,13-18H2,1-3H3InChIKey
CESRXTHVAMEENM-UHFFFAOYSA-NSynonyms
(23dihydrobenzo(b)(14)dioxin2yl)(4(3(266trimethyltetrahydro2Hpyran2yl)prop2yn1yl)piperazin1yl)methanonehydrochloride
23dihydro14benzodioxin2yl(4(3(266trimethyltetrahydro2Hpyran2yl)prop2yn1yl)piperazin1yl)methanone
23dihydro14benzodioxin3yl(4(3(266trimethyloxan2yl)prop2ynyl)piperazin1yl)methanone
CC1(CCCC(O1)(C)C#CCN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C
InChI=1SC24H32N2O4c123(2)1061124(33023)1271325141626(171525)22(27)21182819845920(19)2921h458921H610111318H213H3
MFCD09844240
O=C(C1COc2c(O1)cccc2)N1CCN(CC1)CC#CC1(C)CCCC(O1)(C)CCl
ZINC000013653965
ZINC000020624973
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