Vitas-M small molecule compound

ethyl 2-{[(1-oxo-3-phenyl-3,4-dihydro-1H-isochromen-6-yl)carbonyl]amino}-4-phenylthiophene-3-carboxylate

Catalog ID
STL021805
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)c1ccc2c(c1)CC(OC2=O)c1ccccc1

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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 C29H23NO5S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23NO5S/c1-2-34-29(33)25-23(18-9-5-3-6-10-18)17-36-27(25)30-26(31)20-13-14-22-21(15-20)16-24(35-28(22)32)19-11-7-4-8-12-19/h3-15,17,24H,2,16H2,1H3,(H,30,31)
InChIKey
BAEVSGWXOYUOHD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5
ethyl2(((1oxo3phenyl34dihydro1Hisochromen6yl)carbonyl)amino)4phenylthiophene3carboxylate
ETHYL2((1OXO3PHENYL34DIHYDROISOCHROMENE6CARBONYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((1OXO3PHENYLISOCHROMAN6YL)CARBONYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC29H23NO5Sc123429(33)2523(1895361018)173627(25)3026(31)2013142221(1520)1624(3528(22)32)19117481219h3151724H216H21H3(H3031)
MFCD06438627
ZINC000008951737
ZINC000008951738

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Available files

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