Vitas-M small molecule compound

ethyl 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-4-phenylthiophene-3-carboxylate

Catalog ID
STK095710
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CSc1nc2c(o1)cccc2

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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 C22H18N2O4S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S2/c1-2-27-21(26)19-15(14-8-4-3-5-9-14)12-29-20(19)24-18(25)13-30-22-23-16-10-6-7-11-17(16)28-22/h3-12H,2,13H2,1H3,(H,24,25)
InChIKey
XTNVAQDHVNJXIN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CSc1nc2c(o1)cccc2
ETHYL2(((13BENZOXAZOL2YLSULFANYL)ACETYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2(13BENZOXAZOL2YLSULFANYL)ACETYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2(2BENZOXAZOL2YLTHIOACETYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H18N2O4S2c122721(26)1915(148435914)122920(19)2418(25)133022231610671117(16)2822h312H213H21H3(H2425)
MFCD01972843
STK095710
ZINC000001177910
ZINC01177910
ZINC1177910

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Available files

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