Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK466741
SMILES OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)Cc1ccc3c(c1)OCO3)O2
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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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c23-19(17-14-3-4-15(28-14)18(17)20(24)25)22-7-5-21(6-8-22)10-12-1-2-13-16(9-12)27-11-26-13/h1-4,9,14-15,17-18H,5-8,10-11H2,(H,24,25)InChIKey
NQCSGJKNBZCZRS-UHFFFAOYSA-NSynonyms
2(4(13benzodioxol5ylmethyl)piperazine1carbonyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)7oxabicyclo(221)hept5ene2carboxylicacid
3((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4C5C=CC(C4C(=O)O)O5
InChI=1SC20H22N2O6c2319(17143415(2814)18(17)20(24)25)227521(6822)1012121316(912)27112613h14914151718H581011H2(H2425)
MFCD06066069
ZINC000225745879
ZINC000239165177
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