Vitas-M small molecule compound

(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(morpholin-4-yl)methanone

Catalog ID
STL132553
SMILES CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1nn(cc1C(=O)N1CCOCC1)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 C21H29N5O5S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O5S/c1-3-31-19-7-5-4-6-18(19)24-8-10-26(11-9-24)32(28,29)20-17(16-23(2)22-20)21(27)25-12-14-30-15-13-25/h4-7,16H,3,8-15H2,1-2H3
InChIKey
GEAIWNIWEDDNSG-UHFFFAOYSA-N
Synonyms

(3((4(2ethoxyphenyl)piperazin1yl)sulfonyl)1methyl1Hpyrazol4yl)(morpholin4yl)methanone
(3(4(2ethoxyphenyl)piperazin1yl)sulfonyl1methylpyrazol4yl)morpholin4ylmethanone
CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4CCOCC4)C
InChI=1SC21H29N5O5Sc133119754618(19)2481026(11924)32(2829)2017(1623(2)2220)21(27)25121430151325h4716H3815H212H3
MFCD20752492
ZINC000067336930
ZINC67336930

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Available files

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