Vitas-M small molecule compound
(2Z)-2-{[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]methylidene}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STL312379
SMILES COc1cc2c(cc1OC)C/C(=C/c1c(C)nn(c1C)C1CCS(=O)(=O)C1)/C2=O
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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-12-17(13(2)23(22-12)16-5-6-29(25,26)11-16)8-15-7-14-9-19(27-3)20(28-4)10-18(14)21(15)24/h8-10,16H,5-7,11H2,1-4H3/b15-8-InChIKey
OIJBAVNTRNTVOA-NVNXTCNLSA-NSynonyms
1436016-00-0(2Z)2((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methylidene)56dimethoxy23dihydro1Hinden1one
(2Z)2((1(11dioxothiolan3yl)35dimethylpyrazol4yl)methylidene)56dimethoxy3Hinden1one
(Z)2((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methylene)56dimethoxy23dihydro1Hinden1one
1436016000
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C=C3CC4=CC(=C(C=C4C3=O)OC)OC
COc1cc2c(cc1OC)CC(=Cc1c(C)nn(c1C)C1CCS(=O)(=O)C1)C2=O
InChI=1SC21H24N2O5Sc11217(13(2)23(2212)165629(2526)1116)815714919(273)20(284)1018(14)21(15)24h81016H5711H214H3b158
MFCD23139272
ZINC000095474741
ZINC000095474742
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