Vitas-M small molecule compound
methyl 5-methyl-2-({[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK462673
SMILES COC(=O)c1cc(sc1NC(=S)N1CCN(C(C1)C)c1ccc(cc1)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 C20H25N3O2S2 MW 403.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S2/c1-13-5-7-16(8-6-13)23-10-9-22(12-14(23)2)20(26)21-18-17(19(24)25-4)11-15(3)27-18/h5-8,11,14H,9-10,12H2,1-4H3,(H,21,26)InChIKey
KNLGXPHSOJBZHT-UHFFFAOYSA-NSynonyms
CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=C(S3)C)C(=O)OC
InChI=1SC20H25N3O2S2c1135716(8613)2310922(1214(23)2)20(26)211817(19(24)254)1115(3)2718h581114H91012H214H3(H2126)
methyl5methyl2(((3methyl4(4methylphenyl)piperazin1yl)carbonothioyl)amino)thiophene3carboxylate
METHYL5METHYL2(((3METHYL4(4METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl5methyl2((3methyl4(4methylphenyl)piperazine1carbothioyl)amino)thiophene3carboxylate
MFCD06067793
ZINC000017082750
ZINC000017082751
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