Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(tetrahydrofuran-2-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STL434337
SMILES O=C1C(=C(C(N1CC1CCCO1)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 C21H19NO6S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6S/c23-19(16-4-2-8-29-16)17-18(12-5-6-14-15(9-12)28-11-27-14)22(21(25)20(17)24)10-13-3-1-7-26-13/h2,4-6,8-9,13,18,24H,1,3,7,10-11H2
InChIKey
UNIGKIFDNFRPDE-UHFFFAOYSA-N
Synonyms

2(13benzodioxol5yl)4hydroxy1(oxolan2ylmethyl)3(thiophene2carbonyl)2Hpyrrol5one
5(13benzodioxol5yl)3hydroxy1(tetrahydrofuran2ylmethyl)4(thiophen2ylcarbonyl)15dihydro2Hpyrrol2one
C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H19NO6Sc2319(164282916)1718(12561415(912)28112714)22(21(25)20(17)24)10133172613h24689131824H1371011H2
MFCD26098751
ZINC000085412731
ZINC000085412742

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Available files

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