Vitas-M small molecule compound
2-{2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STL075090
SMILES COc1ccccc1N1CCN(CC1)C(=O)Cn1cccc1c1onc(n1)c1ccc2c(c1)OCO2
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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 C26H25N5O5 MW 487.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5/c1-33-21-7-3-2-5-19(21)29-11-13-30(14-12-29)24(32)16-31-10-4-6-20(31)26-27-25(28-36-26)18-8-9-22-23(15-18)35-17-34-22/h2-10,15H,11-14,16-17H2,1H3InChIKey
UHSFKJNTJXUIJQ-UHFFFAOYSA-NSynonyms
1((2(3(13BENZODIOXOL5YL)124OXADIAZOL5YL)1HPYRROL1YL)ACETYL)4(2METHOXYPHENYL)PIPERAZINE
2(2(3(13benzodioxol5yl)124oxadiazol5yl)1Hpyrrol1yl)1(4(2methoxyphenyl)piperazin1yl)ethanone
2(2(3(13benzodioxol5yl)124oxadiazol5yl)pyrrol1yl)1(4(2methoxyphenyl)piperazin1yl)ethanone
COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C=CC=C3C4=NC(=NO4)C5=CC6=C(C=C5)OCO6
InChI=1SC26H25N5O5c13321732519(21)29111330(141229)24(32)1631104620(31)262725(283626)18892223(1518)35173422h21015H11141617H21H3
MFCD18196450
ZINC000067208014
ZINC67208014
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