Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STL434541
SMILES O=C1C(=C(C(N1CCN1CCCC1)c1ccc2c(c1)OCO2)C(=O)c1cccs1)O
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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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c25-20(17-4-3-11-30-17)18-19(14-5-6-15-16(12-14)29-13-28-15)24(22(27)21(18)26)10-9-23-7-1-2-8-23/h3-6,11-12,19,26H,1-2,7-10,13H2InChIKey
MQTSAPCODGMLII-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4hydroxy1(2pyrrolidin1ylethyl)3(thiophene2carbonyl)2Hpyrrol5one
5(13benzodioxol5yl)3hydroxy1(2(pyrrolidin1yl)ethyl)4(thiophen2ylcarbonyl)15dihydro2Hpyrrol2one
C1CCN(C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H22N2O5Sc2520(1743113017)1819(14561516(1214)29132815)24(22(27)21(18)26)10923712823h3611121926H1271013H2
MFCD30711193
ZINC000096335814
ZINC000096335815
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