Vitas-M small molecule compound

methyl 4-(4-methylphenyl)-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylate

Catalog ID
STL095671
SMILES COC(=O)c1scc(c1S(=O)(=O)N1CCN(CC1)c1ncccn1)c1ccc(cc1)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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c1-15-4-6-16(7-5-15)17-14-30-18(20(26)29-2)19(17)31(27,28)25-12-10-24(11-13-25)21-22-8-3-9-23-21/h3-9,14H,10-13H2,1-2H3
InChIKey
OCANFSMSRKOTOF-UHFFFAOYSA-N
Synonyms
941978-75-2
941978752
CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)OC
InChI=1SC21H22N4O4S2c1154616(7515)17143018(20(26)292)19(17)31(2728)25121024(111325)21228392321h3914H1013H212H3
METHYL3((4(PYRIMIDIN2YL)PIPERAZIN1YL)SULFONYL)4(PTOLYL)THIOPHENE2CARBOXYLATE
methyl4(4methylphenyl)3((4(pyrimidin2yl)piperazin1yl)sulfonyl)thiophene2carboxylate
METHYL4(4METHYLPHENYL)3((4PYRIMIDIN2YLPIPERAZIN1YL)SULFONYL)THIOPHENE2CARBOXYLATE
methyl4(4methylphenyl)3(4pyrimidin2ylpiperazin1yl)sulfonylthiophene2carboxylate
MFCD09248801
ZINC000009320583
ZINC09320583
ZINC9320583

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Available files

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