Vitas-M small molecule compound

methyl 3-({[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate

Catalog ID
STL131444
SMILES COC(=O)c1sccc1NC(=S)N1CCN(CC1)c1cc(C)ccc1C

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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 C19H23N3O2S2 MW 389.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O2S2/c1-13-4-5-14(2)16(12-13)21-7-9-22(10-8-21)19(25)20-15-6-11-26-17(15)18(23)24-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,25)
InChIKey
BRTJTTYVQVSSDC-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC
InChI=1SC19H23N3O2S2c1134514(2)16(1213)217922(10821)19(25)20156112617(15)18(23)243h461112H710H213H3(H2025)
methyl3(((4(25dimethylphenyl)piperazin1yl)carbonothioyl)amino)thiophene2carboxylate
methyl3((4(25dimethylphenyl)piperazine1carbothioyl)amino)thiophene2carboxylate
MFCD14726214
ZINC000008682574
ZINC8682574

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Available files

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