Vitas-M small molecule compound
methyl 4-(2,5-dimethylphenyl)-2-[({4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK466624
SMILES COC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)F
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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 C26H28FN3O5S2 MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FN3O5S2/c1-17-4-5-18(2)21(14-17)22-16-36-25(24(22)26(32)35-3)28-23(31)15-29-10-12-30(13-11-29)37(33,34)20-8-6-19(27)7-9-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,31)InChIKey
COGSAIKYZAKQSW-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
InChI=1SC26H28FN3O5S2c1174518(2)21(1417)22163625(24(22)26(32)353)2823(31)1529101230(131129)37(3334)208619(27)7920h491416H101315H213H3(H2831)
methyl4(25dimethylphenyl)2(((4((4fluorophenyl)sulfonyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
methyl4(25dimethylphenyl)2((2(4(4fluorophenyl)sulfonylpiperazin1yl)acetyl)amino)thiophene3carboxylate
METHYL4(25DIMETHYLPHENYL)2(2(4((4FLUOROPHENYL)SULFONYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD05123218
ZINC000097947909
ZINC97947909
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.