Vitas-M small molecule compound
ethyl 2-amino-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK781947
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CCC2
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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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-2-26-19(25)17-16(15-12(24)4-3-5-13(15)27-18(17)20)14-6-11(8-28-14)7-23-10-21-9-22-23/h6,8-10,16H,2-5,7,20H2,1H3InChIKey
IIQBNNKTAKNOPZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CN4C=NC=N4)C(=O)CCC2)N
ethyl2amino5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydrochromene3carboxylate
ethyl2amino5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)5678tetrahydro4Hchromene3carboxylate
InChI=1SC19H20N4O4Sc122619(25)1716(1512(24)43513(15)2718(17)20)14611(82814)723102192223h681016H25720H21H3
MFCD06016229
ZINC000004727218
ZINC000004727219
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