Vitas-M small molecule compound
(ethoxycarbonyl)(isoquinolinium-2-yl)[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]methanide
Catalog ID
STL436679
SMILES CCOC(=O)[C-]([n+]1ccc2c(c1)cccc2)C1=NC(=O)/C(=C\C(=O)OC)/S1
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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 C19H16N2O5S MW 384.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5S/c1-3-26-19(24)16(18-20-17(23)14(27-18)10-15(22)25-2)21-9-8-12-6-4-5-7-13(12)11-21/h4-11H,3H2,1-2H3/b14-10+InChIKey
PJJBMABGHMJRQD-GXDHUFHOSA-NSynonyms
(ethoxycarbonyl)(isoquinolinium2yl)((5E)5(2methoxy2oxoethylidene)4oxo45dihydro13thiazol2yl)methanide
(Z)1ethoxy2isoquinolin2ium2yl2((5E)5(2methoxy2oxoethylidene)4oxo13thiazol2yl)ethenolate
CCOC(=C(C1=NC(=O)C(=CC(=O)OC)S1)(N+)2=CC3=CC=CC=C3C=C2)(O)
CCOC(=O)(C)((n+)1ccc2c(c1)cccc2)C1=NC(=O)C(=CC(=O)OC)S1
InChI=1SC19H16N2O5Sc132619(24)16(182017(23)14(2718)1015(22)252)219812645713(12)1121h411H3H212H3b1410+
MFCD07773100
ZINC000033362700
Check stock
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