Vitas-M small molecule compound
(4-chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STK595653
SMILES COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)F)Cl
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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 C28H29ClFN3O5S MW 574.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClFN3O5S/c1-37-25-15-19-9-10-32(18-21(19)16-26(25)38-2)28(34)20-3-8-24(29)27(17-20)39(35,36)33-13-11-31(12-14-33)23-6-4-22(30)5-7-23/h3-8,15-17H,9-14,18H2,1-2H3InChIKey
KZJFMCRXUMLKKH-UHFFFAOYSA-NSynonyms
883954-79-8(4chloro3((4(4fluorophenyl)piperazin1yl)sulfonyl)phenyl)(67dimethoxy34dihydroisoquinolin2(1H)yl)methanone
(4chloro3(4(4fluorophenyl)piperazin1yl)sulfonylphenyl)(67dimethoxy34dihydro1Hisoquinolin2yl)methanone
883954798
COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F)OC
InChI=1SC28H29ClFN3O5Sc13725151991032(1821(19)1626(25)382)28(34)203824(29)27(1720)39(3536)33131131(121433)236422(30)5723h381517H91418H212H3
MFCD07197515
ZINC000101670400
ZINC101670400
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