Vitas-M small molecule compound
ethyl 4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]piperazine-1-carboxylate
Catalog ID
STK643388
SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C1COc2c(O1)cccc2
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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 C21H29N3O6 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O6/c1-4-28-21(27)24-11-9-23(10-12-24)20(26)18(14(2)3)22-19(25)17-13-29-15-7-5-6-8-16(15)30-17/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,25)/t17?,18-/m0/s1InChIKey
LXFANRKMKMTABK-ZVAWYAOSSA-NSynonyms
1212470-78-41212470784
CCOC(=O)N1CCN(CC1)C(=O)(C@H)(C(C)C)NC(=O)C1COc2c(O1)cccc2
CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2COC3=CC=CC=C3O2
ethyl4((2S)2(23dihydro14benzodioxine3carbonylamino)3methylbutanoyl)piperazine1carboxylate
ethyl4((2S)2(23dihydrobenzo(b)(14)dioxine2carboxamido)3methylbutanoyl)piperazine1carboxylate
ethyl4(N(23dihydro14benzodioxin2ylcarbonyl)Lvalyl)piperazine1carboxylate
InChI=1SC21H29N3O6c142821(27)2411923(101224)20(26)18(14(2)3)2219(25)17132915756816(15)3017h58141718H4913H213H3(H2225)t17?18m0s1
MFCD18163292
ZINC000020745809
ZINC000020745810
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