Vitas-M small molecule compound

ethyl 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-5-ethylthiophene-3-carboxylate

Catalog ID
STK467820
SMILES CCOC(=O)c1cc(sc1NC(=O)CSc1nc2c(o1)cccc2)CC

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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 C18H18N2O4S2 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S2/c1-3-11-9-12(17(22)23-4-2)16(26-11)20-15(21)10-25-18-19-13-7-5-6-8-14(13)24-18/h5-9H,3-4,10H2,1-2H3,(H,20,21)
InChIKey
KIVUMAJERVSHIW-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OCC
ethyl2(((13benzoxazol2ylsulfanyl)acetyl)amino)5ethylthiophene3carboxylate
ETHYL2((2(13BENZOXAZOL2YLSULFANYL)ACETYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(2BENZOXAZOL2YLTHIOACETYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC18H18N2O4S2c1311912(17(22)2342)16(2611)2015(21)1025181913756814(13)2418h59H3410H212H3(H2021)
MFCD06035144
ZINC000005033865
ZINC05033865
ZINC5033865

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Available files

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