Vitas-M small molecule compound
3,4-dihydroisoquinolin-2(1H)-yl(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)methanone
Catalog ID
STL132596
SMILES CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1nn(cc1C(=O)N1CCc2c(C1)cccc2)CCC
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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 C28H35N5O4S MW 537.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O4S/c1-3-14-32-21-24(28(34)31-15-13-22-9-5-6-10-23(22)20-31)27(29-32)38(35,36)33-18-16-30(17-19-33)25-11-7-8-12-26(25)37-4-2/h5-12,21H,3-4,13-20H2,1-2H3InChIKey
QKACKSZUTOHMDM-UHFFFAOYSA-NSynonyms
34dihydro1Hisoquinolin2yl(3(4(2ethoxyphenyl)piperazin1yl)sulfonyl1propylpyrazol4yl)methanone
34dihydroisoquinolin2(1H)yl(3((4(2ethoxyphenyl)piperazin1yl)sulfonyl)1propyl1Hpyrazol4yl)methanone
CCCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OCC)C(=O)N4CCC5=CC=CC=C5C4
InChI=1SC28H35N5O4Sc1314322124(28(34)311513229561023(22)2031)27(2932)38(3536)33181630(171933)2511781226(25)3742h51221H341320H212H3
MFCD20752538
ZINC000102920212
ZINC102920212
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