Vitas-M small molecule compound

ethyl 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate

Catalog ID
STK483201
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3c(o2)cccc3)sc(c1C)C(=O)N

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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 C18H17N3O5S2 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O5S2/c1-3-25-17(24)13-9(2)14(15(19)23)28-16(13)21-12(22)8-27-18-20-10-6-4-5-7-11(10)26-18/h4-7H,3,8H2,1-2H3,(H2,19,23)(H,21,22)
InChIKey
QPJLGEQKPVCQCC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NC3=CC=CC=C3O2
ethyl2(((13benzoxazol2ylsulfanyl)acetyl)amino)5carbamoyl4methylthiophene3carboxylate
ethyl2((2(13benzoxazol2ylsulfanyl)acetyl)amino)5carbamoyl4methylthiophene3carboxylate
ETHYL2(2BENZOXAZOL2YLTHIOACETYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC18H17N3O5S2c132517(24)139(2)14(15(19)23)2816(13)2112(22)827182010645711(10)2618h47H38H212H3(H21923)(H2122)
MFCD06035149
ZINC000010963308
ZINC10963308

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Available files

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