Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK458773
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCc2c(C1)cccc2
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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-12(2)28-21(27)17-13(3)18(19(22)26)29-20(17)23-16(25)11-24-9-8-14-6-4-5-7-15(14)10-24/h4-7,12H,8-11H2,1-3H3,(H2,22,26)(H,23,25)InChIKey
OECRTEFHNPDWAG-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)N
InChI=1SC21H25N3O4Sc112(2)2821(27)1713(3)18(19(22)26)2920(17)2316(25)11249814645715(14)1024h4712H811H213H3(H22226)(H2325)
MFCD05145927
propan2yl5carbamoyl2((2(34dihydro1Hisoquinolin2yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((34dihydroisoquinolin2(1H)ylacetyl)amino)4methylthiophene3carboxylate
ZINC000017090345
ZINC17090345
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