Vitas-M small molecule compound
ethyl 4-({[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK686274
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2C3CCN(c2cc1C#N)CC3
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-29-22(28)15-3-5-17(6-4-15)24-19(27)13-30-21-16(12-23)11-18-20(25-21)14-7-9-26(18)10-8-14/h3-6,11,14H,2,7-10,13H2,1H3,(H,24,27)InChIKey
VRQVLVWHYRMLBX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C2C#N)N4CCC3CC4
ethyl4((((7cyano34dihydro2H14ethano15naphthyridin6yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC22H22N4O3Sc122922(28)153517(6415)2419(27)13302116(1223)111820(2521)147926(18)10814h361114H271013H21H3(H2427)
MFCD06015512
ZINC000008590762
ZINC8590762
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