Vitas-M small molecule compound

ethyl (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160774
SMILES CCOC(=O)C1=C(C)N/C(=C/c2ccc3c(c2)OCCO3)/C1=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 C17H17NO5 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO5/c1-3-21-17(20)15-10(2)18-12(16(15)19)8-11-4-5-13-14(9-11)23-7-6-22-13/h4-5,8-9,18H,3,6-7H2,1-2H3/b12-8+
InChIKey
JSRGUWNJDFZRKX-XYOKQWHBSA-N
Synonyms

CCOC(=O)C1=C(C)NC(=Cc2ccc3c(c2)OCCO3)C1=O
CCOC(=O)C1=C(NC(=CC2=CC3=C(C=C2)OCCO3)C1=O)C
ethyl(5E)5(23dihydro14benzodioxin6ylmethylidene)2methyl4oxo1Hpyrrole3carboxylate
ETHYL(5E)5(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC17H17NO5c132117(20)1510(2)1812(16(15)19)811451314(911)23762213h458918H367H212H3b128+
MFCD03922809
ZINC000004679370
ZINC04679370
ZINC4679370

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Available files

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