Vitas-M small molecule compound

ethyl 2-({[2-(4-tert-butylphenyl)quinolin-4-yl]carbonyl}amino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK424078
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(C)(C)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 C33H29FN2O3S MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29FN2O3S/c1-5-39-32(38)29-26(20-12-16-23(34)17-13-20)19-40-31(29)36-30(37)25-18-28(35-27-9-7-6-8-24(25)27)21-10-14-22(15-11-21)33(2,3)4/h6-19H,5H2,1-4H3,(H,36,37)
InChIKey
GRSRLTNCZMFPFL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C
ethyl2(((2(4tertbutylphenyl)quinolin4yl)carbonyl)amino)4(4fluorophenyl)thiophene3carboxylate
ETHYL2((2(4(TERTBUTYL)PHENYL)(4QUINOLYL))CARBONYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2(4TERTBUTYLPHENYL)QUINOLINE4CARBONYL)AMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC33H29FN2O3Sc153932(38)2926(20121623(34)171320)194031(29)3630(37)251828(3527976824(25)27)21101422(151121)33(23)4h619H5H214H3(H3637)
MFCD02176219
ZINC000002758942
ZINC2758942

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.