Vitas-M small molecule compound
(4E)-4-{[(4-tert-butylphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL350603
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)C(C)(C)C)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-13-17(11-20-15-7-5-14(6-8-15)19(2,3)4)18(23)22(21-13)16-9-10-26(24,25)12-16/h5-8,11,16,20H,9-10,12H2,1-4H3/b17-11+InChIKey
UIQNKMORYVUHPM-GZTJUZNOSA-NSynonyms
(4E)4(((4tertbutylphenyl)amino)methylidene)2(11dioxidotetrahydrothiophen3yl)5methyl24dihydro3Hpyrazol3one
(4E)4((4tertbutylanilino)methylidene)2(11dioxothiolan3yl)5methylpyrazol3one
(E)4(((4(tertbutyl)phenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1ccc(cc1)C(C)(C)C)C1CCS(=O)(=O)C1
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3
InChI=1SC19H25N3O3Sc11317(1120157514(6815)19(23)4)18(23)22(2113)1691026(2425)1216h58111620H91012H214H3b1711+
MFCD09848142
ZINC000101486518
ZINC000101486523
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