Vitas-M small molecule compound

ethyl 5-carbamoyl-2-({[4-(3-chlorophenyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate

Catalog ID
STK459370
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2cccc(c2)Cl)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 C21H25ClN4O4S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4O4S/c1-3-30-21(29)17-13(2)18(19(23)28)31-20(17)24-16(27)12-25-7-9-26(10-8-25)15-6-4-5-14(22)11-15/h4-6,11H,3,7-10,12H2,1-2H3,(H2,23,28)(H,24,27)
InChIKey
ZXZIBOINXDJNEH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl
ethyl5carbamoyl2(((4(3chlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ethyl5carbamoyl2((2(4(3chlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
InChI=1SC21H25ClN4O4Sc133021(29)1713(2)18(19(23)28)3120(17)2416(27)12257926(10825)1564514(22)1115h4611H371012H212H3(H22328)(H2427)
MFCD05070037
ZINC000016481841
ZINC16481841

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Available files

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