Vitas-M small molecule compound
methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]carbonyl}-L-valinate
Catalog ID
STK616756
SMILES COC(=O)[C@H](C(C)C)NC(=O)N1CCN(CC1)C(=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 C20H27N3O6 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O6/c1-13(2)17(19(25)27-3)21-20(26)23-10-8-22(9-11-23)18(24)16-12-28-14-6-4-5-7-15(14)29-16/h4-7,13,16-17H,8-12H2,1-3H3,(H,21,26)/t16?,17-/m0/s1InChIKey
BBKDTZRXQZTHNR-DJNXLDHESA-NSynonyms
1173680-06-2(2S)methyl2(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazine1carboxamido)3methylbutanoate
1173680062
CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2
COC(=O)(C@H)(C(C)C)NC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
InChI=1SC20H27N3O6c113(2)17(19(25)273)2120(26)2310822(91123)18(24)16122814645715(14)2916h47131617H812H213H3(H2126)t16?17m0s1
methyl(2S)2((4(23dihydro14benzodioxine3carbonyl)piperazine1carbonyl)amino)3methylbutanoate
methylN((4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)carbonyl)Lvalinate
MFCD08288677
ZINC000006755968
ZINC000006755971
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