Vitas-M small molecule compound
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]methanone
Catalog ID
STL320314
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-13-20(14(2)24(22-13)17-6-8-30(26,27)12-17)21(25)23-7-5-15-9-18(28-3)19(29-4)10-16(15)11-23/h9-10,17H,5-8,11-12H2,1-4H3InChIKey
NPVLBFNUGKOXBE-UHFFFAOYSA-NSynonyms
1401592-52-6(67dimethoxy34dihydro1Hisoquinolin2yl)(1(11dioxothiolan3yl)35dimethylpyrazol4yl)methanone
(67dimethoxy34dihydroisoquinolin2(1H)yl)(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methanone
1401592526
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC
InChI=1SC21H27N3O5Sc11320(14(2)24(2213)176830(2627)1217)21(25)237515918(283)19(294)1016(15)1123h91017H581112H214H3
MFCD22585554
ZINC000079493718
ZINC000079493722
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