Vitas-M small molecule compound
ethyl 6-methyl-2-({[2-(3-propoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK422335
SMILES CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)C
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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 C31H32N2O4S MW 528.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O4S/c1-4-15-37-21-10-8-9-20(17-21)26-18-24(22-11-6-7-12-25(22)32-26)29(34)33-30-28(31(35)36-5-2)23-14-13-19(3)16-27(23)38-30/h6-12,17-19H,4-5,13-16H2,1-3H3,(H,33,34)InChIKey
BEVRQKIOLDPKMH-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC
ethyl6methyl2(((2(3propoxyphenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2(3propoxyphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H32N2O4Sc14153721108920(1721)261824(2211671225(22)3226)29(34)333028(31(35)3652)23141319(3)1627(23)3830h6121719H451316H213H3(H3334)
MFCD02176239
ZINC000002758967
ZINC000002758968
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