Vitas-M small molecule compound

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

Catalog ID
STK469212
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccc(cc2)F)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 C20H23FN4O4S MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O4S/c1-12-16(20(28)29-2)19(30-17(12)18(22)27)23-15(26)11-24-7-9-25(10-8-24)14-5-3-13(21)4-6-14/h3-6H,7-11H2,1-2H3,(H2,22,27)(H,23,26)
InChIKey
ZNCGMBGTAHWQFB-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)N
InChI=1SC20H23FN4O4Sc11216(20(28)292)19(3017(12)18(22)27)2315(26)11247925(10824)145313(21)4614h36H711H212H3(H22227)(H2326)
methyl5carbamoyl2(((4(4fluorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
methyl5carbamoyl2((2(4(4fluorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(2(4(4FLUOROPHENYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05144632
ZINC000017098830
ZINC17098830

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Available files

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