Vitas-M small molecule compound

methyl 2-({[4-(4-acetylphenyl)piperazin-1-yl]carbonyl}amino)-5-methylthiophene-3-carboxylate

Catalog ID
STK465272
SMILES COC(=O)c1cc(sc1NC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C)C

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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 C20H23N3O4S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S/c1-13-12-17(19(25)27-3)18(28-13)21-20(26)23-10-8-22(9-11-23)16-6-4-15(5-7-16)14(2)24/h4-7,12H,8-11H2,1-3H3,(H,21,26)
InChIKey
LAXVEZKRTWHYCM-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(S1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC
InChI=1SC20H23N3O4Sc1131217(19(25)273)18(2813)2120(26)2310822(91123)166415(5716)14(2)24h4712H811H213H3(H2126)
methyl2(((4(4acetylphenyl)piperazin1yl)carbonyl)amino)5methylthiophene3carboxylate
methyl2((4(4acetylphenyl)piperazine1carbonyl)amino)5methylthiophene3carboxylate
METHYL2((4(4ACETYLPHENYL)PIPERAZINYL)CARBONYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD06758226
ZINC000017082220
ZINC17082220

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Available files

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