Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK451868
SMILES OC(=O)C1C2CCC(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 C20H24N2O6 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O6/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/h1-2,9,14-15,17-18H,3-8,10-11H2,(H,24,25)InChIKey
IPHAWXRXLSKQAZ-UHFFFAOYSA-NSynonyms
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBONYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)7oxabicyclo(221)heptane2carboxylicacid
3((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
C1CC2C(C(C1O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)O
InChI=1SC20H24N2O6c2319(17143415(2814)18(17)20(24)25)227521(6822)1012121316(912)27112613h12914151718H381011H2(H2425)
MFCD03759341
ZINC000225706248
ZINC000245227520
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