Vitas-M small molecule compound

methyl N-[(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]phenylalaninate

Catalog ID
STK933365
SMILES COC(=O)C(NC(=O)c1cc2c(n1C)ccs2)Cc1ccccc1

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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 C18H18N2O3S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S/c1-20-14-8-9-24-16(14)11-15(20)17(21)19-13(18(22)23-2)10-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H,19,21)
InChIKey
QKVFVSWPCQVIKQ-UHFFFAOYSA-N
Synonyms

CN1C2=C(C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)OC)SC=C2
InChI=1SC18H18N2O3Sc12014892416(14)1115(20)17(21)1913(18(22)232)10126435712h391113H10H212H3(H1921)
methyl2((4methylthieno(32b)pyrrole5carbonyl)amino)3phenylpropanoate
methyl2(4methyl4Hthieno(32b)pyrrole5carboxamido)3phenylpropanoate
methylN((4methyl4Hthieno(32b)pyrrol5yl)carbonyl)phenylalaninate
MFCD18067076
ZINC000040798712
ZINC000040798715

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Available files

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