Vitas-M small molecule compound

methyl 3-{[(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate

Catalog ID
STL133029
SMILES COC(=O)c1cccc(c1)NC(=O)c1cn(nc1S(=O)(=O)N1CCN(CC1)c1cccc(c1C)C)CC

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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 C26H31N5O5S MW 525.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O5S/c1-5-30-17-22(24(32)27-21-10-7-9-20(16-21)26(33)36-4)25(28-30)37(34,35)31-14-12-29(13-15-31)23-11-6-8-18(2)19(23)3/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,32)
InChIKey
JXXIVPFZUHWPCT-UHFFFAOYSA-N
Synonyms

CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)NC4=CC=CC(=C4)C(=O)OC
InChI=1SC26H31N5O5Sc15301722(24(32)2721107920(1621)26(33)364)25(2830)37(3435)31141229(131531)23116818(2)19(23)3h6111617H51215H214H3(H2732)
methyl3(((3((4(23dimethylphenyl)piperazin1yl)sulfonyl)1ethyl1Hpyrazol4yl)carbonyl)amino)benzoate
methyl3((3(4(23dimethylphenyl)piperazin1yl)sulfonyl1ethylpyrazole4carbonyl)amino)benzoate
MFCD20752972
ZINC000067338274
ZINC67338274

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Available files

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