Vitas-M small molecule compound

methyl N-{[4-(2-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}valinate

Catalog ID
STK931981
SMILES COC(=O)C(C(C)C)NC(=O)c1cc2c(n1Cc1ccccc1F)ccs2

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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 C20H21FN2O3S MW 388.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O3S/c1-12(2)18(20(25)26-3)22-19(24)16-10-17-15(8-9-27-17)23(16)11-13-6-4-5-7-14(13)21/h4-10,12,18H,11H2,1-3H3,(H,22,24)
InChIKey
BSTWQHUQJVVCHZ-UHFFFAOYSA-N
Synonyms

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(N1CC3=CC=CC=C3F)C=CS2
InChI=1SC20H21FN2O3Sc112(2)18(20(25)263)2219(24)16101715(892717)23(16)1113645714(13)21h4101218H11H213H3(H2224)
methyl2((4((2fluorophenyl)methyl)thieno(32b)pyrrole5carbonyl)amino)3methylbutanoate
methyl2(4(2fluorobenzyl)4Hthieno(32b)pyrrole5carboxamido)3methylbutanoate
methylN((4(2fluorobenzyl)4Hthieno(32b)pyrrol5yl)carbonyl)valinate
MFCD18069094
ZINC000044892466
ZINC000044892469

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Available files

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